# generated using pymatgen
data_NiAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83999305
_cell_length_b   5.84004386
_cell_length_c   5.84005056
_cell_angle_alpha   89.99878728
_cell_angle_beta   89.99904520
_cell_angle_gamma   89.99940928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsSe
_chemical_formula_sum   'Ni4 As4 Se4'
_cell_volume   199.17968718
_cell_formula_units_Z   4
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  0.00329847  0.00329852  0.00329930  1.0
  Ni  Ni1  1  0.49670115  0.99669814  0.50329805  1.0
  Ni  Ni2  1  0.50329608  0.49670516  0.99670146  1.0
  Ni  Ni3  1  0.99669795  0.50329846  0.49670371  1.0
  As  As4  1  0.62287265  0.62287352  0.62286992  1.0
  As  As5  1  0.87716908  0.37713363  0.12285870  1.0
  As  As6  1  0.12285146  0.87714864  0.37712991  1.0
  As  As7  1  0.37712554  0.12285256  0.87714485  1.0
  Se  Se8  1  0.37985921  0.37985864  0.37986547  1.0
  Se  Se9  1  0.12013277  0.62013396  0.87985993  1.0
  Se  Se10  1  0.87986192  0.12013448  0.62013136  1.0
  Se  Se11  1  0.62013371  0.87986530  0.12013836  1.0