data_[Pr2Ge4S2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9349]
_cell_length_b [4.1327]
_cell_length_c [10.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrGe2S]
_chemical_formula_sum '[Pr2 Ge4 S2]'
_cell_volume [202.4578]
_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  2  0.4856  0.7500  0.7175  1
  Ge  Ge1  2  0.1400  0.2500  0.5304  1
  Ge  Ge2  2  0.3726  0.7500  0.0427  1
  S  S3  2  0.0379  0.7500  0.8500  1
]