data_[Nd12Bi8Te4]
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/c]
_cell_length_a [7.9421]
_cell_length_b [13.7012]
_cell_length_c [7.9517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Bi2Te]
_chemical_formula_sum '[Nd12 Bi8 Te4]'
_cell_volume [816.0656]
_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  0.2485  0.0837  0.5013  1.0
  Nd  Nd1  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0000  0.0833  0.7500  1.0
  Bi  Bi3  4  0.0000  0.2498  0.2500  1.0
  Te  Te4  4  0.0000  0.4163  0.7500  1.0
]