data_[Na2Nd2Br8]
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 [P2_1/c]
_cell_length_a [8.4032]
_cell_length_b [6.8562]
_cell_length_c [8.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaNdBr4]
_chemical_formula_sum '[Na2 Nd2 Br8]'
_cell_volume [430.1871]
_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  2  0.5000  0.0000  0.5000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.1623  0.2484  0.8189  1.0
  Br  Br3  4  0.3201  0.7182  0.6560  1.0
]