data_[Li2Cu4Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5463]
_cell_length_b [2.5221]
_cell_length_c [4.5990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCu2Re]
_chemical_formula_sum '[Li2 Cu4 Re2]'
_cell_volume [106.3031]
_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
[
  Li  Li0  2  0.0140  0.5000  0.5689  1
  Re  Re1  2  0.2308  0.5000  0.1748  1
  Cu  Cu2  2  0.2712  0.0000  0.6939  1
  Cu  Cu3  2  0.4840  0.5000  0.0624  1
]