data_[Re12Ge28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2678]
_cell_length_b [9.1368]
_cell_length_c [22.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Re3Ge7]
_chemical_formula_sum '[Re12 Ge28]'
_cell_volume [661.5751]
_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
[
  Re  Re0  8  0.0000  0.0735  0.5593  1.0
  Re  Re1  4  0.0000  0.4812  0.2500  1.0
  Ge  Ge2  8  0.0000  0.0591  0.1622  1.0
  Ge  Ge3  8  0.0000  0.3239  0.1363  1.0
  Ge  Ge4  8  0.0000  0.3541  0.5320  1.0
  Ge  Ge5  4  0.0000  0.2363  0.7500  1.0
]