data_[Pr2Ag2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [P2_1/m]
_cell_length_a [7.5907]
_cell_length_b [4.1251]
_cell_length_c [9.9140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrAgPbS3]
_chemical_formula_sum '[Pr2 Ag2 Pb2 S6]'
_cell_volume [300.4713]
_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
[
  Pr  Pr0  2  0.2861  0.7500  0.3498  1
  Ag  Ag1  2  0.1068  0.2500  0.0857  1
  Pb  Pb2  2  0.2912  0.2500  0.8098  1
  S  S3  2  0.0233  0.2500  0.3182  1
  S  S4  2  0.2943  0.7500  0.0493  1
  S  S5  2  0.4411  0.7500  0.6413  1
]