data_[Pr18Ga8]
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 [I4/m]
_cell_length_a [12.1791]
_cell_length_b [12.1791]
_cell_length_c [5.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr9Ga4]
_chemical_formula_sum '[Pr18 Ga8]'
_cell_volume [777.8228]
_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  8  0.0963  0.6254  0.5000  1.0
  Pr  Pr1  8  0.1100  0.8150  0.0000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  8  0.1128  0.2333  0.5000  1.0
]