# generated using pymatgen data_Nd2NiOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27926080 _cell_length_b 5.27925994 _cell_length_c 9.08097976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000536 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2NiOs3 _chemical_formula_sum 'Nd4 Ni2 Os6' _cell_volume 219.18431833 _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 Nd Nd0 1 0.33333300 0.66666700 0.43089152 1.0 Nd Nd1 1 0.66666700 0.33333300 0.56910848 1.0 Nd Nd2 1 0.66666700 0.33333300 0.93089152 1.0 Nd Nd3 1 0.33333300 0.66666700 0.06910848 1.0 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.50000000 1.0 Os Os6 1 0.16846046 0.33691993 0.75000000 1.0 Os Os7 1 0.16846046 0.83153954 0.75000000 1.0 Os Os8 1 0.33691993 0.16846046 0.25000000 1.0 Os Os9 1 0.83153954 0.66308007 0.25000000 1.0 Os Os10 1 0.66308007 0.83153954 0.75000000 1.0 Os Os11 1 0.83153954 0.16846046 0.25000000 1.0