data_[Cr2Re10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4667]
_cell_length_b [2.7696]
_cell_length_c [14.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CrRe5]
_chemical_formula_sum '[Cr2 Re10]'
_cell_volume [176.2801]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0012  1.0
  Re  Re1  2  0.0000  0.0000  0.3360  1.0
  Re  Re2  2  0.0000  0.0000  0.6628  1.0
  Re  Re3  2  0.5000  0.0000  0.2222  1.0
  Re  Re4  2  0.5000  0.0000  0.5534  1.0
  Re  Re5  2  0.5000  0.0000  0.8912  1.0
]