data_[Cs3Nd1Ag2Br8]
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 [P-3m1]
_cell_length_a [8.0721]
_cell_length_b [8.0721]
_cell_length_c [10.6153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Nd(AgBr4)2]
_chemical_formula_sum '[Cs3 Nd1 Ag2 Br8]'
_cell_volume [599.0061]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3699  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.3333  0.6667  0.8089  1.0
  Br  Br4  6  0.1658  0.3316  0.6619  1.0
  Br  Br5  2  0.3333  0.6667  0.0463  1.0
]