# CIF generated by HEAS from Alexandria entry agm005679754 data_agm005679754 _cell_length_a 4.02607 _cell_length_b 4.02607 _cell_length_c 12.04933 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 195.31058 _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 0.50000 0.50000 0.50000 1.00000 Ca1 Ca 0.50000 0.50000 0.84493 1.00000 Ca2 Ca 0.50000 0.50000 0.15507 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 Tl2 Tl 0.00000 0.00000 0.69370 1.00000 Tl3 Tl 0.00000 0.00000 0.30630 1.00000