data_[Nd2Ag2Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1556]
_cell_length_b [4.3237]
_cell_length_c [9.8309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdAgSnTe3]
_chemical_formula_sum '[Nd2 Ag2 Sn2 Te6]'
_cell_volume [382.4259]
_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  2  0.1697  0.2500  0.2387  1.0
  Ag  Ag1  2  0.0785  0.2500  0.5805  1.0
  Sn  Sn2  2  0.3386  0.7500  0.8392  1.0
  Te  Te3  2  0.0907  0.2500  0.8762  1.0
  Te  Te4  2  0.2488  0.7500  0.4901  1.0
  Te  Te5  2  0.4032  0.7500  0.1555  1.0
]