# generated using pymatgen
data_NiAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87065313
_cell_length_b   5.87065313
_cell_length_c   5.87065313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsSe
_chemical_formula_sum   'Ni4 As4 Se4'
_cell_volume   202.32952502
_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  0.00328700  0.00328700  0.00328700  1
  Ni  Ni1  1  0.49671300  0.99671300  0.50328700  1
  Ni  Ni2  1  0.50328700  0.49671300  0.99671300  1
  Ni  Ni3  1  0.99671300  0.50328700  0.49671300  1
  As  As4  1  0.62350100  0.62350100  0.62350100  1
  As  As5  1  0.87649900  0.37649900  0.12350100  1
  As  As6  1  0.12350100  0.87649900  0.37649900  1
  As  As7  1  0.37649900  0.12350100  0.87649900  1
  Se  Se8  1  0.37822500  0.37822500  0.37822500  1
  Se  Se9  1  0.12177500  0.62177500  0.87822500  1
  Se  Se10  1  0.87822500  0.12177500  0.62177500  1
  Se  Se11  1  0.62177500  0.87822500  0.12177500  1
