data_[Cs2Nd2Ag2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.8210]
_cell_length_b [12.2434]
_cell_length_c [8.1408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsNdAgBr6]
_chemical_formula_sum '[Cs2 Nd2 Ag2 Br12]'
_cell_volume [776.4744]
_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
[
  Cs  Cs0  2  0.0000  0.9799  0.5000  1.0
  Nd  Nd1  2  0.0000  0.3174  0.0000  1.0
  Ag  Ag2  2  0.0000  0.6661  0.0000  1.0
  Br  Br3  4  0.1118  0.5098  0.2056  1.0
  Br  Br4  4  0.1840  0.1931  0.2479  1.0
  Br  Br5  4  0.1844  0.8144  0.1748  1.0
]