data_[Nd12Bi4Te8]
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 [Cmmm]
_cell_length_a [6.4122]
_cell_length_b [19.2557]
_cell_length_c [6.4127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd3BiTe2]
_chemical_formula_sum '[Nd12 Bi4 Te8]'
_cell_volume [791.7889]
_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  4  0.0000  0.1664  0.0000  1
  Nd  Nd1  4  0.0000  0.3328  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  2  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0000  0.3334  0.0000  1
  Te  Te5  4  0.0000  0.1664  0.5000  1
  Te  Te6  2  0.0000  0.0000  0.0000  1
  Te  Te7  2  0.0000  0.5000  0.5000  1
]