data_[Ba2Dy2Ga2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  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 [6.8261]
_cell_length_b [7.0689]
_cell_length_c [8.7730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaDyGaSe4]
_chemical_formula_sum '[Ba2 Dy2 Ga2 Se8]'
_cell_volume [403.7102]
_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  0.2435  0.2500  0.0584  1.0
  Dy  Dy1  2  0.2271  0.2500  0.5555  1.0
  Ga  Ga2  2  0.2293  0.7500  0.3262  1.0
  Se  Se3  4  0.0135  0.5104  0.7183  1.0
  Se  Se4  2  0.4278  0.7500  0.1419  1.0
  Se  Se5  2  0.4533  0.7500  0.5925  1.0
]