data_[Pr2Th6Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.4735]
_cell_length_b [8.5827]
_cell_length_c [7.4712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PrTh3Ge4]
_chemical_formula_sum '[Pr2 Th6 Ge8]'
_cell_volume [452.1940]
_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  0.0000  0.1251  0.2500  1
  Th  Th1  2  0.0000  0.3746  0.7500  1
  Th  Th2  2  0.5000  0.1250  0.7500  1
  Th  Th3  2  0.5000  0.3748  0.2500  1
  Ge  Ge4  4  0.2507  0.3769  0.5015  1
  Ge  Ge5  4  0.2532  0.1264  0.9996  1
]