data_[Nd8In8Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.9519]
_cell_length_b [4.3240]
_cell_length_c [8.2101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdInBr]
_chemical_formula_sum '[Nd8 In8 Br8]'
_cell_volume [846.3131]
_cell_formula_units_Z [8]
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  0.1409  0.5000  0.5815  1
  Nd  Nd1  4  0.1415  0.5000  0.1008  1
  In  In2  4  0.2417  0.0000  0.6243  1
  In  In3  4  0.2454  0.0000  0.1230  1
  Br  Br4  4  0.0573  0.5000  0.8169  1
  Br  Br5  4  0.0929  0.0000  0.3254  1
]