# generated using pymatgen data_Ba4NiRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36768631 _cell_length_b 4.36768673 _cell_length_c 17.22547840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000421 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4NiRh3 _chemical_formula_sum 'Ba4 Ni1 Rh3' _cell_volume 284.58029590 _cell_formula_units_Z 1 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 0.66666700 0.33333400 0.12602841 1.0 Ba Ba1 1 0.66666700 0.33333400 0.37397159 1.0 Ba Ba2 1 0.33333400 0.66666800 0.63155855 1.0 Ba Ba3 1 0.33333400 0.66666800 0.86844145 1.0 Ni Ni4 1 0.66666700 0.33333400 0.75000000 1.0 Rh Rh5 1 0.00000000 0.00000000 0.25000000 1.0 Rh Rh6 1 0.33333400 0.66666800 0.25000000 1.0 Rh Rh7 1 0.00000000 0.00000000 0.75000000 1.0