data_[Cr4In8Ge4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9933]
_cell_length_b [11.8601]
_cell_length_c [6.8272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrIn2GeSe6]
_chemical_formula_sum '[Cr4 In8 Ge4 Se24]'
_cell_volume [1034.9455]
_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
[
  Cr  Cr0  4  0.0000  0.0863  0.2500  1.0
  In  In1  8  0.1819  0.4032  0.2877  1.0
  Ge  Ge2  4  0.0000  0.2412  0.7500  1.0
  Se  Se3  8  0.1021  0.0750  0.6070  1.0
  Se  Se4  8  0.1224  0.2128  0.1066  1.0
  Se  Se5  8  0.1355  0.3972  0.6413  1.0
]