data_[Pr2Ga2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  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 [6.6900]
_cell_length_b [6.6879]
_cell_length_c [8.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrGaPbS4]
_chemical_formula_sum '[Pr2 Ga2 Pb2 S8]'
_cell_volume [346.3681]
_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  0.2298  0.7500  0.5601  1.0
  Ga  Ga1  2  0.2353  0.2500  0.3082  1.0
  Pb  Pb2  2  0.2545  0.7500  0.0706  1.0
  S  S3  4  0.0027  0.5079  0.2600  1.0
  S  S4  2  0.4307  0.2500  0.5931  1.0
  S  S5  2  0.4337  0.2500  0.1256  1.0
]