# generated using pymatgen data_FeNiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14536978 _cell_length_b 5.08011179 _cell_length_c 5.89250204 _cell_angle_alpha 89.83492658 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiAs4 _chemical_formula_sum 'Fe1 Ni1 As4' _cell_volume 94.15489819 _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 Fe Fe0 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni1 1 -0.00000000 0.00000000 0.00000000 1.0 As As2 1 0.50000000 0.31599209 0.86278112 1.0 As As3 1 0.50000000 0.68400791 0.13721888 1.0 As As4 1 -0.00000000 0.81092864 0.63072968 1.0 As As5 1 -0.00000000 0.18907136 0.36927032 1.0