data_[Na4Nd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4843]
_cell_length_b [4.4817]
_cell_length_c [13.1788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2NdBr6]
_chemical_formula_sum '[Na4 Nd2 Br12]'
_cell_volume [649.9282]
_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
[
  Na  Na0  4  0.1427  0.0000  0.8402  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.0920  0.5000  0.9615  1.0
  Br  Br3  4  0.0974  0.0000  0.4220  1.0
  Br  Br4  4  0.2012  0.5000  0.7282  1.0
]