# CIF generated by HEAS from Alexandria entry agm005962949 data_agm005962949 _cell_length_a 3.84909 _cell_length_b 3.84909 _cell_length_c 15.77106 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 233.65559 _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 0.50000 0.50000 0.25084 1.00000 Ca2 Ca 0.50000 0.50000 0.50000 1.00000 Ca3 Ca 0.50000 0.50000 0.74916 1.00000 Tl1 Tl 0.00000 0.00000 0.87431 1.00000 Tl2 Tl 0.00000 0.00000 0.12569 1.00000 Tl3 Tl 0.00000 0.00000 0.37467 1.00000 Tl4 Tl 0.00000 0.00000 0.62533 1.00000 Sm1 Sm 0.50000 0.50000 0.00000 1.00000