data_[Ba4Ge2Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8367]
_cell_length_b [6.3341]
_cell_length_c [8.1479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2Ge(SeO)2]
_chemical_formula_sum '[Ba4 Ge2 Se4 O4]'
_cell_volume [336.6843]
_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  0.3109  0.7500  0.9504  1
  Ba  Ba1  2  0.3127  0.7500  0.4626  1
  Ge  Ge2  2  0.2737  0.2500  0.6958  1
  Se  Se3  2  0.1022  0.2500  0.9064  1
  Se  Se4  2  0.1190  0.2500  0.3958  1
  O  O5  4  0.4448  0.0269  0.7417  1
]