data_[Nd12Ag4Te24]
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 [Cmc2_1]
_cell_length_a [12.5995]
_cell_length_b [13.8659]
_cell_length_c [7.8170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3AgTe6]
_chemical_formula_sum '[Nd12 Ag4 Te24]'
_cell_volume [1365.6516]
_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  8  0.1780  0.0939  0.5207  1
  Nd  Nd1  4  0.0000  0.3973  0.6251  1
  Ag  Ag2  4  0.0000  0.2215  0.9746  1
  Te  Te3  8  0.1596  0.4570  0.3195  1
  Te  Te4  8  0.1815  0.2697  0.7924  1
  Te  Te5  4  0.0000  0.0314  0.8147  1
  Te  Te6  4  0.0000  0.2219  0.3349  1
]