data_1514
_cell_length_a                   4.01206456672
_cell_length_b                   4.012065
_cell_length_c                   9.9302408856
_cell_angle_alpha                78.3453333891
_cell_angle_beta                 101.654666185
_cell_angle_gamma                119.999995327
_chemical_formula_sum            Ac1
_symmetry_space_group_name_H-M   'P 1'
_symmetry_space_group_name_Hall  ' P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
_cell_formula_units_Z            3
_oqmd_database_code              1514
_oqmd_structure_label            input
_oqmd_space_group_name_H-M       R-3m
_oqmd_space_group_name_Hall      '-R 3 2"'
_oqmd_space_group_crystal_system hexagonal
_oqmd_space_group_IT_number      166
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac 0 3.70074341542e-17 1.85037170771e-16 1
Ac 0.7778 0.2222 0.3334 1
Ac 0.2222 0.7778 0.6666 1
