data_[Re4Pd4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.8463]
_cell_length_b [8.2342]
_cell_length_c [4.8494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RePdPt]
_chemical_formula_sum '[Re4 Pd4 Pt4]'
_cell_volume [182.6480]
_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
[
  Re  Re0  4  0.2215  0.7544  0.7266  1.0
  Pd  Pd1  4  0.2400  0.0898  0.7558  1.0
  Pt  Pt2  4  0.2404  0.4159  0.7539  1.0
]