data_[Nd12As2Rh4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3342]
_cell_length_b [12.7006]
_cell_length_c [8.0325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6AsRh2Br3]
_chemical_formula_sum '[Nd12 As2 Rh4 Br6]'
_cell_volume [712.9036]
_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  8  0.2399  0.1743  0.1976  1.0
  Nd  Nd1  4  0.2164  0.5000  0.1973  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3329  0.0000  1.0
  Br  Br4  4  0.0000  0.1623  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]