data_[Ga12Re4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8167]
_cell_length_b [5.0759]
_cell_length_c [9.7975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga3ReGe]
_chemical_formula_sum '[Ga12 Re4 Ge4]'
_cell_volume [341.6834]
_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
[
  Ga  Ga0  4  0.0109  0.5493  0.1718  1
  Ga  Ga1  4  0.3454  0.1513  0.9419  1
  Ga  Ga2  4  0.3988  0.6053  0.1606  1
  Re  Re3  4  0.3113  0.6551  0.8561  1
  Ge  Ge4  4  0.1601  0.0889  0.1086  1
]