data_[Re2Ru1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7544]
_cell_length_b [4.4164]
_cell_length_c [4.8543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Re2RuPt]
_chemical_formula_sum '[Re2 Ru1 Pt1]'
_cell_volume [59.0511]
_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
[
  Re  Re0  1  0.0000  0.0000  0.0331  1.0
  Re  Re1  1  0.0000  0.5000  0.7126  1.0
  Ru  Ru2  1  0.5000  0.0000  0.5424  1.0
  Pt  Pt3  1  0.5000  0.5000  0.2119  1.0
]