data_[Nd12Cd2Si4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1526]
_cell_length_b [4.2755]
_cell_length_c [8.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6CdSi2Br3]
_chemical_formula_sum '[Nd12 Cd2 Si4 Br6]'
_cell_volume [706.0352]
_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  0.0102  0.0000  0.2552  1.0
  Nd  Nd1  4  0.1664  0.5000  0.1140  1.0
  Nd  Nd2  4  0.1756  0.5000  0.5648  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1669  0.0000  0.3354  1.0
  Br  Br5  4  0.1673  0.0000  0.8314  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]