data_[Nd12Sb4Se6Br2]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0693]
_cell_length_b [4.3489]
_cell_length_c [8.7332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Sb2Se3Br]
_chemical_formula_sum '[Nd12 Sb4 Se6 Br2]'
_cell_volume [703.2349]
_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  0.0033  0.0000  0.7233  1
  Nd  Nd1  4  0.1647  0.5000  0.5916  1
  Nd  Nd2  4  0.1782  0.5000  0.0790  1
  Sb  Sb3  4  0.1640  0.0000  0.3284  1
  Se  Se4  4  0.1635  0.0000  0.8338  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]