# generated using pymatgen data_Ni3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62804181 _cell_length_b 6.14424114 _cell_length_c 6.34955878 _cell_angle_alpha 119.58396835 _cell_angle_beta 106.60025190 _cell_angle_gamma 89.99999230 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3Se4 _chemical_formula_sum 'Ni3 Se4' _cell_volume 116.25740268 _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 Ni Ni0 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.25945496 0.24067268 0.51891092 1.0 Ni Ni2 1 0.74054504 0.75932732 0.48108908 1.0 Se Se3 1 0.12065950 0.78488524 0.24131900 1.0 Se Se4 1 0.87934050 0.21511576 0.75868100 1.0 Se Se5 1 0.63495318 0.29365478 0.26990535 1.0 Se Se6 1 0.36504682 0.70634422 0.73009465 1.0