data_[Na1Nd1Ag2Br6]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3060]
_cell_length_b [7.3441]
_cell_length_c [8.0933]
_cell_angle_alpha [63.9612]
_cell_angle_beta [64.4990]
_cell_angle_gamma [60.7741]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNd(AgBr3)2]
_chemical_formula_sum '[Na1 Nd1 Ag2 Br6]'
_cell_volume [327.3122]
_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
[
  Na  Na0  1  0.0162  0.9996  0.9893  1.0
  Nd  Nd1  1  0.5262  0.5138  0.4519  1.0
  Ag  Ag2  1  0.2236  0.1817  0.4040  1.0
  Ag  Ag3  1  0.7812  0.7781  0.6662  1.0
  Br  Br4  1  0.1328  0.7700  0.6968  1.0
  Br  Br5  1  0.2740  0.5853  0.2240  1.0
  Br  Br6  1  0.4093  0.1207  0.6979  1.0
  Br  Br7  1  0.6121  0.9041  0.2182  1.0
  Br  Br8  1  0.7652  0.4033  0.7179  1.0
  Br  Br9  1  0.9225  0.2555  0.2364  1.0
]