data_[Fe4Cu2Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.0861]
_cell_length_b [4.0825]
_cell_length_c [8.1425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Fe2CuRe]
_chemical_formula_sum '[Fe4 Cu2 Re2]'
_cell_volume [102.5873]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.9948  1
  Fe  Fe1  2  0.0000  0.5000  0.7609  1
  Re  Re2  2  0.0000  0.0000  0.5055  1
  Cu  Cu3  2  0.0000  0.5000  0.2389  1
]