# generated using pymatgen data_Ca9Mn4Bi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76785200 _cell_length_b 12.60849500 _cell_length_c 22.42838900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca9Mn4Bi9 _chemical_formula_sum 'Ca18 Mn8 Bi18' _cell_volume 1348.29243067 _cell_formula_units_Z 2 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 0.50000000 0.50000000 0.50000000 1.0 Ca Ca1 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca2 1 0.00000000 0.88107300 0.23542200 1.0 Ca Ca3 1 0.00000000 0.11892700 0.76457800 1.0 Ca Ca4 1 0.00000000 0.38107300 0.26457800 1.0 Ca Ca5 1 0.00000000 0.61892700 0.73542200 1.0 Ca Ca6 1 0.50000000 0.71563400 0.10354500 1.0 Ca Ca7 1 0.50000000 0.28436600 0.89645500 1.0 Ca Ca8 1 0.50000000 0.21563400 0.39645500 1.0 Ca Ca9 1 0.50000000 0.78436600 0.60354500 1.0 Ca Ca10 1 0.00000000 0.93839600 0.40912400 1.0 Ca Ca11 1 0.00000000 0.06160400 0.59087600 1.0 Ca Ca12 1 0.00000000 0.43839600 0.09087600 1.0 Ca Ca13 1 0.00000000 0.56160400 0.90912400 1.0 Ca Ca14 1 0.00000000 0.63719600 0.36236200 1.0 Ca Ca15 1 0.00000000 0.36280400 0.63763800 1.0 Ca Ca16 1 0.00000000 0.13719600 0.13763800 1.0 Ca Ca17 1 0.00000000 0.86280400 0.86236200 1.0 Mn Mn18 1 0.50000000 0.72074400 0.95493900 1.0 Mn Mn19 1 0.50000000 0.27925600 0.04506100 1.0 Mn Mn20 1 0.50000000 0.22074400 0.54506100 1.0 Mn Mn21 1 0.50000000 0.77925600 0.45493900 1.0 Mn Mn22 1 0.50000000 0.88355000 0.76075000 1.0 Mn Mn23 1 0.50000000 0.11645000 0.23925000 1.0 Mn Mn24 1 0.50000000 0.38355000 0.73925000 1.0 Mn Mn25 1 0.50000000 0.61645000 0.26075000 1.0 Bi Bi26 1 0.50000000 0.00000000 0.50000000 1.0 Bi Bi27 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi28 1 0.00000000 0.62431500 0.19368800 1.0 Bi Bi29 1 0.00000000 0.37568500 0.80631200 1.0 Bi Bi30 1 0.00000000 0.12431500 0.30631200 1.0 Bi Bi31 1 0.00000000 0.87568500 0.69368800 1.0 Bi Bi32 1 0.50000000 0.81426500 0.33071400 1.0 Bi Bi33 1 0.50000000 0.18573500 0.66928600 1.0 Bi Bi34 1 0.50000000 0.31426500 0.16928600 1.0 Bi Bi35 1 0.50000000 0.68573500 0.83071400 1.0 Bi Bi36 1 0.50000000 0.96255500 0.14678200 1.0 Bi Bi37 1 0.50000000 0.03744500 0.85321800 1.0 Bi Bi38 1 0.50000000 0.46255500 0.35321800 1.0 Bi Bi39 1 0.50000000 0.53744500 0.64678200 1.0 Bi Bi40 1 0.00000000 0.80336300 0.00548900 1.0 Bi Bi41 1 0.00000000 0.19663700 0.99451100 1.0 Bi Bi42 1 0.00000000 0.30336300 0.49451100 1.0 Bi Bi43 1 0.00000000 0.69663700 0.50548900 1.0