# generated using pymatgen data_Ni4As3S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68053493 _cell_length_b 5.68053493 _cell_length_c 5.68053486 _cell_angle_alpha 90.68503215 _cell_angle_beta 90.68503215 _cell_angle_gamma 90.68502956 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4As3S5 _chemical_formula_sum 'Ni4 As3 S5' _cell_volume 183.26258990 _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 0.99350300 0.99350300 0.99350300 1.0 Ni Ni1 1 0.49620100 0.00098100 0.50897400 1.0 Ni Ni2 1 0.00098100 0.50897400 0.49620100 1.0 Ni Ni3 1 0.50897400 0.49620100 0.00098100 1.0 As As4 1 0.11837400 0.37990000 0.88262400 1.0 As As5 1 0.37990000 0.88262400 0.11837400 1.0 As As6 1 0.88262400 0.11837400 0.37990000 1.0 S S7 1 0.39496200 0.39496200 0.39496200 1.0 S S8 1 0.88424400 0.61678700 0.11449800 1.0 S S9 1 0.61678700 0.11449800 0.88424400 1.0 S S10 1 0.11449800 0.88424400 0.61678700 1.0 S S11 1 0.60895200 0.60895200 0.60895200 1.0