data_[Nd8Sb2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2556]
_cell_length_b [4.1436]
_cell_length_c [9.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4SbBr5]
_chemical_formula_sum '[Nd8 Sb2 Br10]'
_cell_volume [678.5518]
_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  4  0.0026  0.0000  0.2408  1
  Nd  Nd1  4  0.1695  0.5000  0.0641  1
  Sb  Sb2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1662  0.0000  0.8068  1
  Br  Br4  4  0.1685  0.0000  0.3116  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]