data_[In2Cu6Ge2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7673]
_cell_length_b [7.1953]
_cell_length_c [9.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InCu3GeS4]
_chemical_formula_sum '[In2 Cu6 Ge2 S8]'
_cell_volume [374.3494]
_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  0.1473  0.2500  0.3937  1
  Cu  Cu1  4  0.3083  0.5634  0.0340  1
  Cu  Cu2  2  0.4612  0.7500  0.2914  1
  Ge  Ge3  2  0.1099  0.2500  0.7841  1
  S  S4  4  0.3429  0.5049  0.7826  1
  S  S5  2  0.0287  0.2500  0.0062  1
  S  S6  2  0.1967  0.7500  0.4210  1
]