data_[Zr4Re8Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9487]
_cell_length_b [22.0524]
_cell_length_c [3.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr(ReGe)2]
_chemical_formula_sum '[Zr4 Re8 Ge8]'
_cell_volume [346.9734]
_cell_formula_units_Z [4]
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  0.0000  0.1486  0.2500  1.0
  Re  Re1  4  0.0000  0.0375  0.7500  1.0
  Re  Re2  4  0.0000  0.4567  0.7500  1.0
  Ge  Ge3  4  0.0000  0.2514  0.7500  1.0
  Ge  Ge4  4  0.0000  0.3822  0.2500  1.0
]