data_[Ag2Pb10S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2118]
_cell_length_b [12.4481]
_cell_length_c [7.1982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgPb5S6]
_chemical_formula_sum '[Ag2 Pb10 S12]'
_cell_volume [608.1826]
_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
[
  Ag  Ag0  2  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.0000  0.1665  0.5000  1
  Pb  Pb2  4  0.0000  0.3332  0.0000  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2418  0.1614  0.2425  1
  S  S5  4  0.2435  0.0000  0.7541  1
]