data_[Pr6Ga8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.5149]
_cell_length_b [4.3771]
_cell_length_c [4.2582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(GaGe)4]
_chemical_formula_sum '[Pr6 Ga8 Ge8]'
_cell_volume [512.8377]
_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  0.1369  0.5000  0.9935  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0886  0.0000  0.4395  1.0
  Ga  Ga3  4  0.2278  0.0000  0.0126  1.0
  Ge  Ge4  4  0.0448  0.5000  0.5443  1.0
  Ge  Ge5  4  0.1778  0.0000  0.5071  1.0
]