data_[Ba2Dy2B2S8]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1489]
_cell_length_b [6.4283]
_cell_length_c [8.3777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaDyBS4]
_chemical_formula_sum '[Ba2 Dy2 B2 S8]'
_cell_volume [314.4904]
_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  0.2824  0.2500  0.0742  1.0
  Dy  Dy1  2  0.2279  0.2500  0.5505  1.0
  B  B2  2  0.2108  0.7500  0.3178  1.0
  S  S3  4  0.0099  0.5102  0.2762  1.0
  S  S4  2  0.3927  0.7500  0.5531  1.0
  S  S5  2  0.3965  0.7500  0.1647  1.0
]