data_[Ba4In12Ge8]
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 [C2/m]
_cell_length_a [17.9767]
_cell_length_b [4.4586]
_cell_length_c [9.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaIn3Ge2]
_chemical_formula_sum '[Ba4 In12 Ge8]'
_cell_volume [677.8664]
_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
[
  Ba  Ba0  4  0.1203  0.0000  0.1397  1
  In  In1  4  0.0455  0.0000  0.6679  1
  In  In2  4  0.1587  0.5000  0.4716  1
  In  In3  4  0.1871  0.5000  0.8848  1
  Ge  Ge4  4  0.0125  0.5000  0.8099  1
  Ge  Ge5  4  0.2135  0.0000  0.6816  1
]