data_[Pr12Ge4P6S2]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4502]
_cell_length_b [4.1863]
_cell_length_c [8.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2P3S]
_chemical_formula_sum '[Pr12 Ge4 P6 S2]'
_cell_volume [640.3985]
_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  4  0.0016  0.0000  0.7475  1.0
  Pr  Pr1  4  0.1639  0.5000  0.5908  1.0
  Pr  Pr2  4  0.1662  0.5000  0.0755  1.0
  Ge  Ge3  4  0.1662  0.0000  0.3328  1.0
  P  P4  4  0.1651  0.0000  0.8347  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]