data_[Nd12Sb8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8503]
_cell_length_b [13.5400]
_cell_length_c [7.8399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Sb2Te]
_chemical_formula_sum '[Nd12 Sb8 Te4]'
_cell_volume [786.1617]
_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  0.2415  0.0859  0.9998  1.0
  Nd  Nd1  4  0.2500  0.2500  0.5000  1.0
  Sb  Sb2  4  0.0000  0.0837  0.2500  1.0
  Sb  Sb3  4  0.0000  0.2519  0.7500  1.0
  Te  Te4  4  0.0000  0.4180  0.2500  1.0
]