data_[Cs4In4Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7255]
_cell_length_b [4.9067]
_cell_length_c [8.9468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2In2Ge3]
_chemical_formula_sum '[Cs4 In4 Ge6]'
_cell_volume [459.8265]
_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
[
  Cs  Cs0  4  0.1704  0.0000  0.5756  1
  In  In1  4  0.1489  0.0000  0.0119  1
  Ge  Ge2  4  0.0702  0.5000  0.7846  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
]