# CIF generated by HEAS from Alexandria entry agm005085508 data_agm005085508 _cell_length_a 7.60184 _cell_length_b 7.60184 _cell_length_c 14.34804 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 718.05914 _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 0.66667 0.33333 0.25000 1.00000 Ca2 Ca 0.33333 0.66667 0.75000 1.00000 Pr1 Pr 0.33333 0.66667 0.25000 1.00000 Pr2 Pr 0.66667 0.33333 0.75000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 Tl2 Tl 0.00000 0.00000 0.50000 1.00000 Br1 Br 0.63256 0.63126 0.13452 1.00000 Br2 Br 0.99870 0.36744 0.13452 1.00000 Br3 Br 0.36744 0.99870 0.63452 1.00000 Br4 Br 0.00130 0.63256 0.86548 1.00000 Br5 Br 0.36874 0.36744 0.36548 1.00000 Br6 Br 0.99870 0.63126 0.36548 1.00000 Br7 Br 0.63126 0.99870 0.86548 1.00000 Br8 Br 0.63256 0.00130 0.36548 1.00000 Br9 Br 0.00130 0.36874 0.63452 1.00000 Br10 Br 0.36874 0.00130 0.13452 1.00000 Br11 Br 0.63126 0.63256 0.63452 1.00000 Br12 Br 0.36744 0.36874 0.86548 1.00000