data_[Nd16Bi4Te8]
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 [Cmcm]
_cell_length_a [4.4118]
_cell_length_b [14.5465]
_cell_length_c [14.8115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd4BiTe2]
_chemical_formula_sum '[Nd16 Bi4 Te8]'
_cell_volume [950.5382]
_cell_formula_units_Z [4]
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  8  0.0000  0.2204  0.6282  1.0
  Nd  Nd1  4  0.0000  0.0571  0.2500  1.0
  Nd  Nd2  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3997  0.2500  1.0
  Te  Te4  8  0.0000  0.1410  0.0615  1.0
]