data_[Cd1Cu1Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7930]
_cell_length_b [3.9336]
_cell_length_c [5.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CdCuRe2]
_chemical_formula_sum '[Cd1 Cu1 Re2]'
_cell_volume [63.1662]
_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
[
  Cd  Cd0  1  0.0000  0.0000  0.5200  1
  Re  Re1  1  0.0000  0.0000  0.0198  1
  Re  Re2  1  0.5000  0.5000  0.2072  1
  Cu  Cu3  1  0.5000  0.5000  0.7530  1
]