data_[Re2Ir2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8929]
_cell_length_b [3.8920]
_cell_length_c [6.2539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ReIrPt]
_chemical_formula_sum '[Re2 Ir2 Pt2]'
_cell_volume [90.1047]
_cell_formula_units_Z [2]
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  2  0.2419  0.2500  0.9971  1.0
  Ir  Ir1  2  0.4092  0.7500  0.3155  1.0
  Pt  Pt2  2  0.0889  0.7500  0.6755  1.0
]