# generated using pymatgen data_SrCaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55967414 _cell_length_b 6.80541027 _cell_length_c 15.23010451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaBi3 _chemical_formula_sum 'Sr4 Ca4 Bi12' _cell_volume 679.89126452 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.55720559 0.50000000 0.25000000 1.0 Sr Sr1 1 0.44279441 0.50000000 0.75000000 1.0 Sr Sr2 1 0.94279441 0.00000000 0.25000000 1.0 Sr Sr3 1 0.05720559 0.00000000 0.75000000 1.0 Ca Ca4 1 0.75000000 0.75000000 0.99852521 1.0 Ca Ca5 1 0.25000000 0.25000000 0.00147479 1.0 Ca Ca6 1 0.75000000 0.25000000 0.50147479 1.0 Ca Ca7 1 0.25000000 0.75000000 0.49852521 1.0 Bi Bi8 1 0.75000000 0.75000000 0.43717853 1.0 Bi Bi9 1 0.25000000 0.25000000 0.56282147 1.0 Bi Bi10 1 0.75000000 0.25000000 0.06282147 1.0 Bi Bi11 1 0.25000000 0.75000000 0.93717853 1.0 Bi Bi12 1 0.07616814 0.56324041 0.14966347 1.0 Bi Bi13 1 0.92383186 0.43675959 0.85033653 1.0 Bi Bi14 1 0.07616814 0.43675959 0.35033653 1.0 Bi Bi15 1 0.42383186 0.06324041 0.35033653 1.0 Bi Bi16 1 0.92383186 0.56324041 0.64966347 1.0 Bi Bi17 1 0.57616814 0.93675959 0.64966347 1.0 Bi Bi18 1 0.42383186 0.93675959 0.14966347 1.0 Bi Bi19 1 0.57616814 0.06324041 0.85033653 1.0