data_[Nd8Te12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8195]
_cell_length_b [13.5384]
_cell_length_c [7.7974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Te3]
_chemical_formula_sum '[Nd8 Te12]'
_cell_volume [778.1740]
_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  4  0.0000  0.3331  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Te  Te3  8  0.2491  0.3346  0.7508  1.0
  Te  Te4  4  0.2475  0.5000  0.2508  1.0
]