# CIF generated by HEAS from Alexandria entry agm005100950 data_agm005100950 _cell_length_a 4.80035 _cell_length_b 5.10131 _cell_length_c 5.10131 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 108.18498 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 Zr 0.50000 0.66667 0.33333 1.00000 Pa1 Pa 0.00000 0.33333 0.66667 1.00000 Be1 Be 0.50000 0.00000 0.00000 1.00000 O1 O 0.72914 0.69260 0.69700 1.00000 O2 O 0.72914 0.30300 0.99561 1.00000 O3 O 0.72914 0.00439 0.30740 1.00000 O4 O 0.27086 0.30300 0.30740 1.00000 O5 O 0.27086 0.69260 0.99561 1.00000 O6 O 0.27086 0.00439 0.69700 1.00000