data_[Ni4Bi16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3726]
_cell_length_b [8.3294]
_cell_length_c [7.1860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiBi4Au]
_chemical_formula_sum '[Ni4 Bi16 Au4]'
_cell_volume [689.5124]
_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  0.2500  0.2500  0.0000  1
  Bi  Bi1  8  0.1058  0.1977  0.2020  1
  Bi  Bi2  4  0.1514  0.5000  0.7579  1
  Bi  Bi3  4  0.1987  0.0000  0.7435  1
  Au  Au4  4  0.0000  0.2316  0.5000  1
]