data_[Nd6Sn2Se2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2880]
_cell_length_b [4.3919]
_cell_length_c [10.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3SnSeBr]
_chemical_formula_sum '[Nd6 Sn2 Se2 Br2]'
_cell_volume [362.0317]
_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  0.1791  0.7500  0.1105  1
  Nd  Nd1  2  0.1806  0.7500  0.4883  1
  Nd  Nd2  2  0.3148  0.2500  0.8317  1
  Sn  Sn3  2  0.0120  0.7500  0.7475  1
  Se  Se4  2  0.4195  0.2500  0.1216  1
  Br  Br5  2  0.4477  0.2500  0.6016  1
]