data_[Nd8Sb6Te1]
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 [P-3]
_cell_length_a [11.0136]
_cell_length_b [11.0136]
_cell_length_c [4.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Nd8Sb6Te]
_chemical_formula_sum '[Nd8 Sb6 Te1]'
_cell_volume [504.6167]
_cell_formula_units_Z [1]
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  6  0.0292  0.3139  0.2631  1
  Nd  Nd1  2  0.3333  0.6667  0.7429  1
  Sb  Sb2  6  0.1223  0.6463  0.2405  1
  Te  Te3  1  0.0000  0.0000  0.5000  1
]