# CIF generated by HEAS from Alexandria entry agm005995448 data_agm005995448 _cell_length_a 7.67925 _cell_length_b 9.39968 _cell_length_c 9.39968 _cell_angle_alpha 80.39470 _cell_angle_beta 65.89032 _cell_angle_gamma 65.89031 _cell_volume 565.27926 _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 Ba1 Ba 0.39906 0.80362 0.39826 1.00000 Ba2 Ba 0.79732 0.60174 0.80362 1.00000 Ba3 Ba 0.20268 0.39826 0.19638 1.00000 Ba4 Ba 0.60094 0.19638 0.60174 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Br1 Br 0.25000 0.50000 0.50000 1.00000 Br2 Br 0.66431 0.28820 0.90476 1.00000 Br3 Br 0.04749 0.09524 0.28820 1.00000 Br4 Br 0.43094 0.90476 0.71180 1.00000 Br5 Br 0.85726 0.71180 0.09524 1.00000 Br6 Br 0.33569 0.71180 0.09524 1.00000 Br7 Br 0.75000 0.50000 0.50000 1.00000 Br8 Br 0.14274 0.28820 0.90476 1.00000 Br9 Br 0.56906 0.09524 0.28820 1.00000 Br10 Br 0.95251 0.90476 0.71180 1.00000