data_[Nd16Bi4Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9924]
_cell_length_b [4.7424]
_cell_length_c [8.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Bi2Te]
_chemical_formula_sum '[Nd16 Bi4 Te2]'
_cell_volume [741.7568]
_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  0.0036  0.0000  0.2524  1
  Nd  Nd1  4  0.0979  0.5000  0.5149  1
  Nd  Nd2  4  0.1634  0.5000  0.0457  1
  Nd  Nd3  4  0.2149  0.0000  0.3643  1
  Bi  Bi4  4  0.1741  0.0000  0.7722  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
]