data_[Nd16Sn4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0192]
_cell_length_b [4.8444]
_cell_length_c [7.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Sn2Te]
_chemical_formula_sum '[Nd16 Sn4 Te2]'
_cell_volume [729.7274]
_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  0.0010  0.0000  0.2524  1.0
  Nd  Nd1  4  0.1001  0.5000  0.5207  1.0
  Nd  Nd2  4  0.1639  0.5000  0.0389  1.0
  Nd  Nd3  4  0.2163  0.0000  0.3584  1.0
  Sn  Sn4  4  0.1747  0.0000  0.7709  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]