data_[Ni4Au8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7591]
_cell_length_b [11.1398]
_cell_length_c [5.6162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni(AuSe)2]
_chemical_formula_sum '[Ni4 Au8 Se8]'
_cell_volume [372.5268]
_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  4  0.0000  0.0059  0.2500  1
  Au  Au1  8  0.1612  0.3833  0.1849  1
  Se  Se2  8  0.2215  0.1367  0.2032  1
]