data_[Ni2Au1Se4]
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 [P-1]
_cell_length_a [3.9171]
_cell_length_b [6.4606]
_cell_length_c [6.6408]
_cell_angle_alpha [84.3370]
_cell_angle_beta [76.5521]
_cell_angle_gamma [86.6867]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2AuSe4]
_chemical_formula_sum '[Ni2 Au1 Se4]'
_cell_volume [162.5451]
_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  2  0.3583  0.4642  0.2812  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.1854  0.6675  0.5604  1.0
  Se  Se3  2  0.4811  0.2599  0.9938  1.0
]