data_[Nd12Si4Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  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 [19.4550]
_cell_length_b [4.4317]
_cell_length_c [9.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Si2BiTe3]
_chemical_formula_sum '[Nd12 Si4 Bi2 Te6]'
_cell_volume [755.6089]
_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  0.0114  0.0000  0.2558  1.0
  Nd  Nd1  4  0.1696  0.5000  0.1097  1.0
  Nd  Nd2  4  0.1733  0.5000  0.5691  1.0
  Si  Si3  4  0.1684  0.0000  0.3361  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1627  0.0000  0.8338  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]