data_[Zr10Re2]
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 [C2/m]
_cell_length_a [11.1714]
_cell_length_b [3.3654]
_cell_length_c [7.4156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Re]
_chemical_formula_sum '[Zr10 Re2]'
_cell_volume [262.1839]
_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  4  0.1468  0.5000  0.8548  1.0
  Zr  Zr1  4  0.1640  0.5000  0.3071  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Re  Re3  2  0.0000  0.0000  0.0000  1.0
]