data_[Ba4Sn2Ge2]
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_1/m]
_cell_length_a [6.7615]
_cell_length_b [4.5549]
_cell_length_c [10.0291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2SnGe]
_chemical_formula_sum '[Ba4 Sn2 Ge2]'
_cell_volume [297.8813]
_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  2  0.1963  0.2500  0.4258  1.0
  Ba  Ba1  2  0.2870  0.7500  0.0629  1.0
  Sn  Sn2  2  0.3544  0.7500  0.7160  1.0
  Ge  Ge3  2  0.1495  0.2500  0.7861  1.0
]