data_[Pr12Ge2S6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2148]
_cell_length_b [12.5268]
_cell_length_c [7.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GeS3Cl2]
_chemical_formula_sum '[Pr12 Ge2 S6 Cl4]'
_cell_volume [614.0989]
_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  0.2487  0.6601  0.7292  1.0
  Pr  Pr1  4  0.2328  0.0000  0.7299  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.1686  0.5000  1.0
  S  S4  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  4  0.0000  0.3318  0.0000  1.0
]