data_[Zr2Re10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2992]
_cell_length_b [2.8828]
_cell_length_c [6.8248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrRe5]
_chemical_formula_sum '[Zr2 Re10]'
_cell_volume [192.9652]
_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
[
  Zr  Zr0  2  0.2034  0.5000  0.9288  1
  Re  Re1  2  0.0563  0.0000  0.5826  1
  Re  Re2  2  0.1750  0.5000  0.3520  1
  Re  Re3  2  0.3599  0.0000  0.6684  1
  Re  Re4  2  0.3896  0.0000  0.2850  1
  Re  Re5  2  0.4824  0.5000  0.0165  1
]