data_[Nd2In4Ag2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6484]
_cell_length_b [8.1464]
_cell_length_c [13.2209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdIn2AgBr6]
_chemical_formula_sum '[Nd2 In4 Ag2 Br12]'
_cell_volume [684.3253]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.5000  1
  In  In1  4  0.2896  0.0865  0.2615  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.1373  0.0283  0.7535  1
  Br  Br4  4  0.2438  0.6999  0.5568  1
  Br  Br5  4  0.3620  0.1905  0.5504  1
]