data_[Nd12Bi6Sb2Te4]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8435]
_cell_length_b [4.5732]
_cell_length_c [9.1162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Bi3SbTe2]
_chemical_formula_sum '[Nd12 Bi6 Sb2 Te4]'
_cell_volume [805.6196]
_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  0.0007  0.0000  0.7557  1.0
  Nd  Nd1  4  0.1642  0.5000  0.0801  1.0
  Nd  Nd2  4  0.1652  0.5000  0.5850  1.0
  Bi  Bi3  4  0.1679  0.0000  0.8332  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
  Te  Te6  4  0.1670  0.0000  0.3342  1.0
]