# CIF generated by HEAS from Alexandria entry agm002882995 data_agm002882995 _cell_length_a 6.55805 _cell_length_b 6.55805 _cell_length_c 7.96118 _cell_angle_alpha 65.67725 _cell_angle_beta 65.67725 _cell_angle_gamma 90.00000 _cell_volume 278.31326 _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 0.58683 0.12500 0.25000 1.00000 Ca2 Ca 0.16317 0.62500 0.25000 1.00000 Ca3 Ca 0.37500 0.41317 0.75000 1.00000 Ca4 Ca 0.87500 0.83683 0.75000 1.00000 S1 S 0.50000 0.50000 0.00000 1.00000 S2 S 0.25000 0.75000 0.50000 1.00000 Br1 Br 0.00000 0.00000 0.00000 1.00000 Br2 Br 0.75000 0.25000 0.50000 1.00000