data_[Nd8In4Ag4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  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 [4.3709]
_cell_length_b [19.4105]
_cell_length_c [13.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2InAgTe5]
_chemical_formula_sum '[Nd8 In4 Ag4 Te20]'
_cell_volume [1107.9915]
_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  0.1216  0.3037  1.0
  Nd  Nd1  4  0.0000  0.1226  0.6804  1.0
  In  In2  4  0.0000  0.4074  0.4765  1.0
  Ag  Ag3  4  0.0000  0.2197  0.0047  1.0
  Te  Te4  4  0.0000  0.0360  0.0853  1.0
  Te  Te5  4  0.0000  0.2965  0.6633  1.0
  Te  Te6  4  0.0000  0.2980  0.3301  1.0
  Te  Te7  4  0.0000  0.3637  0.9938  1.0
  Te  Te8  4  0.0000  0.4890  0.2862  1.0
]