data_[Ba4Dy4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6142]
_cell_length_b [14.2056]
_cell_length_c [6.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaDyBr4]
_chemical_formula_sum '[Ba4 Dy4 Br16]'
_cell_volume [790.8036]
_cell_formula_units_Z [4]
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  4  0.0000  0.3627  0.2500  1.0
  Dy  Dy1  4  0.0000  0.0017  0.2500  1.0
  Br  Br2  8  0.1108  0.1675  0.5813  1.0
  Br  Br3  8  0.2137  0.4383  0.7910  1.0
]