data_[In2Cu6Ge2]
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 [P1]
_cell_length_a [5.1955]
_cell_length_b [5.4876]
_cell_length_c [6.4687]
_cell_angle_alpha [114.1541]
_cell_angle_beta [100.0828]
_cell_angle_gamma [104.8095]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InCu3Ge]
_chemical_formula_sum '[In2 Cu6 Ge2]'
_cell_volume [154.2978]
_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  1  0.4519  0.0395  0.3758  1.0
  In  In1  1  0.8979  0.7058  0.4933  1.0
  Cu  Cu2  1  0.0204  0.5380  0.0788  1.0
  Cu  Cu3  1  0.0253  0.2866  0.6236  1.0
  Cu  Cu4  1  0.3021  0.8013  0.8961  1.0
  Cu  Cu5  1  0.3290  0.5316  0.4327  1.0
  Cu  Cu6  1  0.6511  0.5465  0.7847  1.0
  Cu  Cu7  1  0.6782  0.0466  0.7829  1.0
  Ge  Ge8  1  0.3854  0.3219  0.9956  1.0
  Ge  Ge9  1  0.9084  0.0383  0.1533  1.0
]