data_[Nd12Te2As4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9416]
_cell_length_b [4.2718]
_cell_length_c [9.3393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TeAs2Pb3]
_chemical_formula_sum '[Nd12 Te2 As4 Pb6]'
_cell_volume [755.9037]
_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  0.0092  0.0000  0.2526  1.0
  Nd  Nd1  4  0.1676  0.5000  0.1038  1.0
  Nd  Nd2  4  0.1735  0.5000  0.5628  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1676  0.0000  0.3322  1.0
  Pb  Pb5  4  0.1626  0.0000  0.8275  1.0
  Pb  Pb6  2  0.0000  0.5000  0.5000  1.0
]