data_[Ba4Dy2Ga2Se10]
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 [P-1]
_cell_length_a [7.4256]
_cell_length_b [8.7821]
_cell_length_c [9.5685]
_cell_angle_alpha [103.4782]
_cell_angle_beta [103.0444]
_cell_angle_gamma [107.3887]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2DyGaSe5]
_chemical_formula_sum '[Ba4 Dy2 Ga2 Se10]'
_cell_volume [548.9531]
_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  0.3462  0.5127  0.7091  1.0
  Ba  Ba1  2  0.3685  0.0225  0.7117  1.0
  Dy  Dy2  2  0.0023  0.2700  0.0020  1.0
  Ga  Ga3  2  0.1900  0.1265  0.3112  1.0
  Se  Se4  2  0.0090  0.3161  0.3127  1.0
  Se  Se5  2  0.0107  0.8443  0.3093  1.0
  Se  Se6  2  0.2851  0.0909  0.0736  1.0
  Se  Se7  2  0.2922  0.5887  0.0548  1.0
  Se  Se8  2  0.4941  0.7435  0.4942  1.0
]