data_[Ba6In18Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.2300]
_cell_length_b [11.1238]
_cell_length_c [14.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3In9Ge2]
_chemical_formula_sum '[Ba6 In18 Ge4]'
_cell_volume [831.2607]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.3152  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  In  In2  8  0.0000  0.2743  0.1392  1
  In  In3  8  0.0000  0.3660  0.3428  1
  In  In4  2  0.0000  0.5000  0.0000  1
  Ge  Ge5  4  0.0000  0.2056  0.5000  1
]