# generated using pymatgen data_Ni5As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74223981 _cell_length_b 6.74223995 _cell_length_c 12.45306781 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999937 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5As2 _chemical_formula_sum 'Ni30 As12' _cell_volume 490.24749969 _cell_formula_units_Z 6 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 0.94919604 1.0 Ni Ni1 1 0.00000000 0.00000000 0.44919604 1.0 Ni Ni2 1 0.33333300 0.66666700 0.09491519 1.0 Ni Ni3 1 0.66666700 0.33333300 0.59491519 1.0 Ni Ni4 1 0.33333300 0.66666700 0.59491519 1.0 Ni Ni5 1 0.66666700 0.33333300 0.09491519 1.0 Ni Ni6 1 0.24976712 0.00000000 0.12147142 1.0 Ni Ni7 1 0.24976712 0.24976712 0.62147142 1.0 Ni Ni8 1 -0.00000000 0.75023288 0.62147142 1.0 Ni Ni9 1 0.00000000 0.24976712 0.12147142 1.0 Ni Ni10 1 0.75023288 0.75023288 0.12147142 1.0 Ni Ni11 1 0.75023288 0.00000000 0.62147142 1.0 Ni Ni12 1 0.62399567 0.00000000 0.21945640 1.0 Ni Ni13 1 0.62399567 0.62399567 0.71945540 1.0 Ni Ni14 1 0.00000000 0.37600433 0.71945540 1.0 Ni Ni15 1 -0.00000000 0.62399567 0.21945640 1.0 Ni Ni16 1 0.37600433 0.37600433 0.21945640 1.0 Ni Ni17 1 0.37600433 0.00000000 0.71945540 1.0 Ni Ni18 1 0.31105684 0.00000000 0.32905125 1.0 Ni Ni19 1 0.31105684 0.31105684 0.82905125 1.0 Ni Ni20 1 -0.00000000 0.68894316 0.82905125 1.0 Ni Ni21 1 0.00000000 0.31105684 0.32905125 1.0 Ni Ni22 1 0.68894316 0.68894316 0.32905125 1.0 Ni Ni23 1 0.68894316 0.00000000 0.82905125 1.0 Ni Ni24 1 0.62567953 0.00000000 0.43261457 1.0 Ni Ni25 1 0.62567953 0.62567953 0.93261457 1.0 Ni Ni26 1 0.00000000 0.37432047 0.93261457 1.0 Ni Ni27 1 -0.00000000 0.62567953 0.43261457 1.0 Ni Ni28 1 0.37432047 0.37432047 0.43261457 1.0 Ni Ni29 1 0.37432047 0.00000000 0.93261457 1.0 As As30 1 0.00000000 0.00000000 0.25500836 1.0 As As31 1 0.00000000 0.00000000 0.75500836 1.0 As As32 1 0.33333300 0.66666700 0.29459813 1.0 As As33 1 0.66666700 0.33333300 0.79459813 1.0 As As34 1 0.33333300 0.66666700 0.79459813 1.0 As As35 1 0.66666700 0.33333300 0.29459813 1.0 As As36 1 0.66921887 0.00000000 0.02299700 1.0 As As37 1 0.66921887 0.66921887 0.52299700 1.0 As As38 1 0.00000000 0.33078113 0.52299700 1.0 As As39 1 -0.00000000 0.66921887 0.02299700 1.0 As As40 1 0.33078113 0.33078113 0.02299700 1.0 As As41 1 0.33078113 0.00000000 0.52299700 1.0