data_[Nd6Bi2As2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5707]
_cell_length_b [4.3188]
_cell_length_c [11.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3BiAsBr]
_chemical_formula_sum '[Nd6 Bi2 As2 Br2]'
_cell_volume [369.1938]
_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  0.0434  0.7500  0.1444  1.0
  Nd  Nd1  2  0.2888  0.7500  0.4983  1.0
  Nd  Nd2  2  0.4512  0.2500  0.8467  1.0
  Bi  Bi3  2  0.3410  0.2500  0.2986  1.0
  As  As4  2  0.2356  0.7500  0.9420  1.0
  Br  Br5  2  0.1222  0.2500  0.6315  1.0
]