data_[Nb4Re4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9277]
_cell_length_b [4.0564]
_cell_length_c [5.6015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbRePt]
_chemical_formula_sum '[Nb4 Re4 Pt4]'
_cell_volume [192.3162]
_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
[
  Nb  Nb0  2  0.0680  0.0000  0.7189  1
  Nb  Nb1  2  0.2590  0.5000  0.0840  1
  Re  Re2  2  0.0844  0.0000  0.2391  1
  Re  Re3  2  0.4065  0.0000  0.3938  1
  Pt  Pt4  2  0.2407  0.5000  0.5729  1
  Pt  Pt5  2  0.4167  0.0000  0.9001  1
]