data_[Lu4Re8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [21.6310]
_cell_length_b [4.1159]
_cell_length_c [4.1960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu(ReGe)2]
_chemical_formula_sum '[Lu4 Re8 Ge8]'
_cell_volume [370.1422]
_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
[
  Lu  Lu0  4  0.1454  0.5000  0.8485  1.0
  Re  Re1  4  0.0356  0.5000  0.2751  1.0
  Re  Re2  4  0.0399  0.0000  0.7787  1.0
  Ge  Ge3  4  0.1115  0.0000  0.3301  1.0
  Ge  Ge4  4  0.2310  0.0000  0.3262  1.0
]