data_[Pr16Cd2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9851]
_cell_length_b [4.9956]
_cell_length_c [8.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8CdGa2]
_chemical_formula_sum '[Pr16 Cd2 Ga4]'
_cell_volume [681.7564]
_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  0.0424  0.0000  0.7450  1
  Pr  Pr1  4  0.0962  0.5000  0.4582  1
  Pr  Pr2  4  0.1735  0.5000  0.9436  1
  Pr  Pr3  4  0.1813  0.0000  0.2767  1
  Cd  Cd4  2  0.0000  0.5000  0.0000  1
  Ga  Ga5  4  0.2054  0.0000  0.6810  1
]