data_[Nd12Bi4Te2As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3094]
_cell_length_b [4.3896]
_cell_length_c [8.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Bi2TeAs3]
_chemical_formula_sum '[Nd12 Bi4 Te2 As6]'
_cell_volume [732.7644]
_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  0.0050  0.0000  0.7354  1.0
  Nd  Nd1  4  0.1621  0.5000  0.5956  1.0
  Nd  Nd2  4  0.1719  0.5000  0.0704  1.0
  Bi  Bi3  4  0.1663  0.0000  0.3324  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1662  0.0000  0.8339  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]