data_[Ag10Pb2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3204]
_cell_length_b [11.7677]
_cell_length_c [7.0694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5PbSe6]
_chemical_formula_sum '[Ag10 Pb2 Se12]'
_cell_volume [559.1332]
_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  4  0.0000  0.1648  0.5000  1
  Ag  Ag1  4  0.0000  0.3331  0.0000  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.1879  0.3298  0.7550  1
  Se  Se5  4  0.2227  0.0000  0.7211  1
]