data_[Nd12Te6As4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2181]
_cell_length_b [4.3565]
_cell_length_c [8.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te3As2Br]
_chemical_formula_sum '[Nd12 Te6 As4 Br2]'
_cell_volume [723.3767]
_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  4  0.0135  0.0000  0.2611  1
  Nd  Nd1  4  0.1731  0.5000  0.1155  1
  Nd  Nd2  4  0.1737  0.5000  0.5680  1
  Te  Te3  4  0.1600  0.0000  0.8358  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  As  As5  4  0.1687  0.0000  0.3362  1
  Br  Br6  2  0.0000  0.5000  0.0000  1
]