scripts/cif_find_symmetry: tests/cases/cif_find_symmetry_013.inp data_1837564: WARNING, spacegroup symbol '-C 2b 2' is not recognised.
data_1837564
_cell_length_a                   1.738933679
_cell_length_b                   3.98521358499
_cell_length_c                   1.874278843
_cell_angle_alpha                89.9999997033
_cell_angle_beta                 90
_cell_angle_gamma                90.0000147624
_chemical_formula_sum            H1
_cod_original_sg_symbol_H-M      'P 1'
_cod_original_sg_symbol_Hall     ' P 1'
_cell_formula_units_Z            2
_oqmd_database_code              1837564
_oqmd_structure_label            relaxation
_oqmd_calculation_label          relaxation
_tcod_initial_cell_param_db_name 'Open Quantum Materials Database'
_tcod_initial_cell_param_db_code 1837226
_tcod_initial_cell_param_URI     http://oqmd.org/materials/structure/1837226
_tcod_initial_coordinate_db_name 'Open Quantum Materials Database'
_tcod_initial_coordinate_db_code 1837226
_tcod_initial_coordinate_URI     http://oqmd.org/materials/structure/1837226
_oqmd_calculation_converged      yes
_tcod_total_energy               -2.43045276
_tcod_computation_wallclock_time 151.03
_dft_kinetic_energy_cutoff_wavefunctions 250
_dft_cell_energy_conv            0.0001
_dft_BZ_integration_smearing_width 0.2
_dft_BZ_integration_smearing_method Methfessel-Paxton
_dft_BZ_integration_MP_order     1
_space_group_IT_number           67
_space_group_name_H-M_alt        Cmme
_space_group_name_Hall           '-C 2b 2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
H 9.09248499881e-07 0.749999090752 0.750069205684 1
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z
4 x+1/2,y,-z
5 x-y,-y,-z
6 -x+y,y,z
7 -x+y+1/2,y,-z
8 x-y+1/2,-y,z
