data_[Ba2Sr2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1722]
_cell_length_b [7.1346]
_cell_length_c [8.9165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSrGeSe4]
_chemical_formula_sum '[Ba2 Sr2 Ge2 Se8]'
_cell_volume [434.3095]
_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  0.2609  0.7500  0.0659  1.0
  Sr  Sr1  2  0.2345  0.7500  0.5568  1.0
  Ge  Ge2  2  0.2199  0.2500  0.3090  1.0
  Se  Se3  4  0.0004  0.0078  0.7458  1.0
  Se  Se4  2  0.4058  0.2500  0.5787  1.0
  Se  Se5  2  0.4086  0.2500  0.1297  1.0
]