data_[Pr16Ga4Ge8]
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 [I-42d]
_cell_length_a [9.2425]
_cell_length_b [9.2425]
_cell_length_c [9.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Pr4GaGe2]
_chemical_formula_sum '[Pr16 Ga4 Ge8]'
_cell_volume [790.0240]
_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  16  0.0688  0.1805  0.8092  1.0
  Ga  Ga1  4  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  8  0.1272  0.2500  0.1250  1.0
]