data_[Ba3In6Ge1Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.0525]
_cell_length_b [7.0525]
_cell_length_c [9.7157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3In6GePb2]
_chemical_formula_sum '[Ba3 In6 Ge1 Pb2]'
_cell_volume [418.4885]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6786  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  In  In2  6  0.1875  0.3749  0.3258  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
  Pb  Pb4  2  0.3333  0.6667  0.0437  1
]