data_[Nd2Dy2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0929]
_cell_length_b [13.4009]
_cell_length_c [7.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdDyBr6]
_chemical_formula_sum '[Nd2 Dy2 Br12]'
_cell_volume [645.0561]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2413  0.3553  0.7425  1
  Br  Br3  4  0.2463  0.5000  0.2542  1
]