data_[Pr4Au1S2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2324]
_cell_length_b [4.1218]
_cell_length_c [7.3696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4AuS2Cl]
_chemical_formula_sum '[Pr4 Au1 S2 Cl1]'
_cell_volume [207.9261]
_cell_formula_units_Z [1]
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  0.2459  0.0000  0.7349  1.0
  Pr  Pr1  2  0.2625  0.5000  0.2741  1.0
  Au  Au2  1  0.5000  0.5000  0.0000  1.0
  S  S3  1  0.0000  0.5000  0.5000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl5  1  0.0000  0.0000  0.0000  1.0
]