data_[In4Si4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.8325]
_cell_length_b [3.9118]
_cell_length_c [7.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InSiGe]
_chemical_formula_sum '[In4 Si4 Ge4]'
_cell_volume [270.0522]
_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
[
  In  In0  2  0.0347  0.0000  0.6029  1
  In  In1  2  0.1214  0.5000  0.3241  1
  Si  Si2  2  0.2406  0.5000  0.0137  1
  Si  Si3  2  0.4871  0.0000  0.8931  1
  Ge  Ge4  2  0.3200  0.0000  0.2545  1
  Ge  Ge5  2  0.3252  0.5000  0.7710  1
]