data_[Nd10Ag2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.4539]
_cell_length_b [9.4539]
_cell_length_c [9.6969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5AgTe8]
_chemical_formula_sum '[Nd10 Ag2 Te16]'
_cell_volume [866.6724]
_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  0.1262  0.2467  0.1181  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  2  0.0000  0.5000  0.7500  1
  Te  Te3  8  0.0703  0.1852  0.7933  1
  Te  Te4  8  0.0776  0.3203  0.4357  1
]