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 [C2/m]
_cell_length_a [10.8324]
_cell_length_b [4.6851]
_cell_length_c [7.0005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga3ReGe]
_chemical_formula_sum '[Ga12 Re4 Ge4]'
_cell_volume [352.3753]
_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  0.0468  0.0000  0.1788  1
  Ga  Ga1  4  0.1167  0.5000  0.7775  1
  Ga  Ga2  4  0.1340  0.0000  0.5569  1
  Re  Re3  4  0.2057  0.0000  0.9284  1
  Ge  Ge4  4  0.1246  0.5000  0.3541  1
]