data_[Nd4Ag4Te8Pb4S4]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4042]
_cell_length_b [14.6580]
_cell_length_c [10.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdAgTe2PbS]
_chemical_formula_sum '[Nd4 Ag4 Te8 Pb4 S4]'
_cell_volume [687.9571]
_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  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4816  0.2500  1
  Te  Te2  8  0.0000  0.3481  0.0601  1
  Pb  Pb3  4  0.0000  0.2691  0.7500  1
  S  S4  4  0.0000  0.0782  0.2500  1
]