# CIF generated by HEAS from Alexandria entry agm005663602 data_agm005663602 _cell_length_a 6.93952 _cell_length_b 6.93950 _cell_length_c 5.99288 _cell_angle_alpha 89.98408 _cell_angle_beta 89.98354 _cell_angle_gamma 120.00741 _cell_volume 249.91441 _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 Ca1 Ca 0.50000 0.00000 0.00000 1.00000 Pa1 Pa 0.16668 0.33332 0.50001 1.00000 Pa2 Pa 0.83332 0.66668 0.49999 1.00000 S1 S 0.85688 0.99987 0.73637 1.00000 S2 S 0.50012 0.64312 0.26363 1.00000 S3 S 0.14312 0.00013 0.26363 1.00000 S4 S 0.49988 0.35688 0.73637 1.00000 S5 S 0.14307 0.64308 0.73613 1.00000 S6 S 0.85693 0.35692 0.26387 1.00000