data_[Nd10Si2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0127]
_cell_length_b [10.0127]
_cell_length_c [6.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd5SiTe4]
_chemical_formula_sum '[Nd10 Si2 Te8]'
_cell_volume [632.0872]
_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  8  0.0946  0.2751  0.5000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.0931  0.3048  0.0000  1.0
]