data_[La2Re8Si2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1735]
_cell_length_b [4.2090]
_cell_length_c [14.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaRe4SiGe]
_chemical_formula_sum '[La2 Re8 Si2 Ge2]'
_cell_volume [250.6784]
_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
[
  La  La0  2  0.5000  0.0000  0.9980  1
  Re  Re1  2  0.0000  0.0000  0.1973  1
  Si  Si2  2  0.0000  0.0000  0.4070  1
  Re  Re3  2  0.0000  0.0000  0.8074  1
  Re  Re4  2  0.5000  0.0000  0.3030  1
  Re  Re5  2  0.5000  0.0000  0.7015  1
  Ge  Ge6  2  0.0000  0.0000  0.5858  1
]