# generated using pymatgen data_Ba2Ni(AsRh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.75190272 _cell_length_b 11.75190272 _cell_length_c 4.24815763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ni(AsRh)6 _chemical_formula_sum 'Ba4 Ni2 As12 Rh12' _cell_volume 586.70123078 _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 Ba Ba0 1 0.14665166 0.64665166 0.75005365 1.0 Ba Ba1 1 0.35334834 0.14665166 0.24994635 1.0 Ba Ba2 1 0.64665166 0.85334834 0.24994635 1.0 Ba Ba3 1 0.85334834 0.35334834 0.75005365 1.0 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 As As6 1 0.86960646 0.11630014 0.26428460 1.0 As As7 1 0.36960646 0.38369986 0.73571540 1.0 As As8 1 0.58952487 0.08952487 0.76495958 1.0 As As9 1 0.63039354 0.61630014 0.73571540 1.0 As As10 1 0.61630014 0.36960646 0.26428460 1.0 As As11 1 0.08952487 0.41047513 0.23504042 1.0 As As12 1 0.38369986 0.63039354 0.26428460 1.0 As As13 1 0.91047513 0.58952487 0.23504042 1.0 As As14 1 0.11630014 0.13039354 0.73571540 1.0 As As15 1 0.41047513 0.91047513 0.76495958 1.0 As As16 1 0.13039354 0.88369986 0.26428460 1.0 As As17 1 0.88369986 0.86960646 0.73571540 1.0 Rh Rh18 1 0.55277413 0.28957081 0.75489891 1.0 Rh Rh19 1 0.05277413 0.21042919 0.24510109 1.0 Rh Rh20 1 0.71042919 0.55277413 0.24510109 1.0 Rh Rh21 1 0.28957081 0.44722587 0.24510109 1.0 Rh Rh22 1 0.33031975 0.83031975 0.26252461 1.0 Rh Rh23 1 0.83031975 0.66968025 0.73747539 1.0 Rh Rh24 1 0.94722587 0.78957081 0.24510109 1.0 Rh Rh25 1 0.21042919 0.94722587 0.75489891 1.0 Rh Rh26 1 0.78957081 0.05277413 0.75489891 1.0 Rh Rh27 1 0.16968025 0.33031975 0.73747539 1.0 Rh Rh28 1 0.44722587 0.71042919 0.75489891 1.0 Rh Rh29 1 0.66968025 0.16968025 0.26252461 1.0