data_[Dy2Cr2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7915]
_cell_length_b [11.7688]
_cell_length_c [6.9347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [DyCrBr6]
_chemical_formula_sum '[Dy2 Cr2 Br12]'
_cell_volume [521.9514]
_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
[
  Dy  Dy0  2  0.0000  0.1660  0.0000  1
  Cr  Cr1  2  0.0000  0.8334  0.0000  1
  Br  Br2  4  0.2215  0.8305  0.7713  1
  Br  Br3  4  0.2238  0.9846  0.2341  1
  Br  Br4  4  0.2345  0.6853  0.2322  1
]