data_[Pr10Th2Ge8]
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 [C2/m]
_cell_length_a [19.3755]
_cell_length_b [4.4659]
_cell_length_c [8.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5ThGe4]
_chemical_formula_sum '[Pr10 Th2 Ge8]'
_cell_volume [636.9971]
_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  0.1609  0.0000  0.4376  1
  Pr  Pr1  4  0.1711  0.0000  0.9508  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0076  0.0000  0.7554  1
  Ge  Ge5  4  0.1835  0.5000  0.2080  1
]