data_[Ba2Nd2Ag2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [9.4554]
_cell_length_b [4.5820]
_cell_length_c [10.2100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNdAgTe3]
_chemical_formula_sum '[Ba2 Nd2 Ag2 Te6]'
_cell_volume [428.0167]
_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
[
  Ba  Ba0  2  0.1937  0.2500  0.2459  1.0
  Nd  Nd1  2  0.3226  0.7500  0.8374  1.0
  Ag  Ag2  2  0.0824  0.2500  0.5861  1.0
  Te  Te3  2  0.0997  0.2500  0.8709  1.0
  Te  Te4  2  0.2389  0.7500  0.5186  1.0
  Te  Te5  2  0.4423  0.7500  0.1629  1.0
]