# generated using pymatgen data_CaMnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53419052 _cell_length_b 4.52985612 _cell_length_c 21.64680020 _cell_angle_alpha 89.98711890 _cell_angle_beta 90.04994737 _cell_angle_gamma 90.02288560 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnBi2 _chemical_formula_sum 'Ca4 Mn4 Bi8' _cell_volume 444.60840696 _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 Ca Ca0 1 0.24989300 0.25055200 0.12965700 1.0 Ca Ca1 1 0.24930900 0.25012600 0.62969500 1.0 Ca Ca2 1 0.75006800 0.74966500 0.37024700 1.0 Ca Ca3 1 0.75092100 0.74982300 0.87022500 1.0 Mn Mn4 1 0.74928900 0.25029900 0.50022400 1.0 Mn Mn5 1 0.24923300 0.74901100 0.99989900 1.0 Mn Mn6 1 0.75068600 0.24940600 0.99994100 1.0 Mn Mn7 1 0.25091200 0.75083700 0.50003000 1.0 Bi Bi8 1 0.75018900 0.23308400 0.25019500 1.0 Bi Bi9 1 0.73264500 0.25021700 0.74955100 1.0 Bi Bi10 1 0.24962100 0.76690500 0.24966600 1.0 Bi Bi11 1 0.26721100 0.74974900 0.75033200 1.0 Bi Bi12 1 0.24971800 0.25064800 0.42154100 1.0 Bi Bi13 1 0.24967800 0.24954500 0.92126900 1.0 Bi Bi14 1 0.74981100 0.74993100 0.07861100 1.0 Bi Bi15 1 0.75081700 0.75020000 0.57891800 1.0