data_[Pr20Ga8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1543]
_cell_length_b [6.4604]
_cell_length_c [8.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Ga2]
_chemical_formula_sum '[Pr20 Ga8]'
_cell_volume [881.1318]
_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  8  0.0927  0.1364  0.9229  1.0
  Pr  Pr1  8  0.2232  0.4164  0.3226  1.0
  Pr  Pr2  4  0.0000  0.3701  0.2500  1.0
  Ga  Ga3  8  0.1023  0.3092  0.5822  1.0
]