data_[In2Cu4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0854]
_cell_length_b [5.1071]
_cell_length_c [6.6190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InCu2Ge]
_chemical_formula_sum '[In2 Cu4 Ge2]'
_cell_volume [137.8877]
_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
[
  In  In0  2  0.2405  0.2500  0.9117  1.0
  Cu  Cu1  4  0.2803  0.0020  0.2859  1.0
  Ge  Ge2  2  0.2091  0.7500  0.6063  1.0
]