data_[Ba4Sn5Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9748]
_cell_length_b [5.1919]
_cell_length_c [9.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Sn5Ge2]
_chemical_formula_sum '[Ba4 Sn5 Ge2]'
_cell_volume [384.0317]
_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  0.2195  0.5000  0.1375  1.0
  Ba  Ba1  2  0.2524  0.5000  0.6194  1.0
  Sn  Sn2  2  0.1208  0.0000  0.8756  1.0
  Sn  Sn3  2  0.4195  0.0000  0.3512  1.0
  Sn  Sn4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0764  0.0000  0.3808  1.0
]