data_[Pr16Ge4P4S8]
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 [Imma]
_cell_length_a [8.3936]
_cell_length_b [8.4141]
_cell_length_c [11.8859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pr4GePS2]
_chemical_formula_sum '[Pr16 Ge4 P4 S8]'
_cell_volume [839.4385]
_cell_formula_units_Z [4]
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  0.0000  0.0045  0.2507  1.0
  Pr  Pr1  8  0.2497  0.2500  0.0017  1.0
  Ge  Ge2  4  0.0000  0.0000  0.5000  1.0
  P  P3  4  0.2500  0.2500  0.2500  1.0
  S  S4  4  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.2500  0.2500  0.7500  1.0
]