# CIF generated by HEAS from Alexandria entry agm004166641 data_agm004166641 _cell_length_a 3.11489 _cell_length_b 4.86402 _cell_length_c 5.79810 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 87.84638 _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 Br1 Br 0.00000 0.00000 0.42746 1.00000 Zr1 Zr 0.00000 0.00000 0.95213 1.00000 Zr2 Zr 0.50000 0.50000 0.29884 1.00000 Ta1 Ta 0.50000 0.50000 0.82156 1.00000