data_[Pr12Au2Se4S6]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2680]
_cell_length_b [12.6105]
_cell_length_c [7.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AuSe2S3]
_chemical_formula_sum '[Pr12 Au2 Se4 S6]'
_cell_volume [628.8870]
_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  8  0.2447  0.3309  0.7363  1.0
  Pr  Pr1  4  0.2479  0.0000  0.7353  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0000  0.3346  0.0000  1.0
  S  S4  4  0.0000  0.1667  0.5000  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
]