data_[Ba2Pr2Ga2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9640]
_cell_length_b [7.0689]
_cell_length_c [8.8758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaPrGaSe4]
_chemical_formula_sum '[Ba2 Pr2 Ga2 Se8]'
_cell_volume [416.4590]
_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  0.2524  0.2500  0.0624  1.0
  Pr  Pr1  2  0.2304  0.2500  0.5563  1.0
  Ga  Ga2  2  0.2263  0.7500  0.3178  1.0
  Se  Se3  4  0.0103  0.5108  0.7294  1.0
  Se  Se4  2  0.4217  0.7500  0.1356  1.0
  Se  Se5  2  0.4330  0.7500  0.5889  1.0
]