data_[Pr5Cd4Ga1]
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 [P4/mmm]
_cell_length_a [3.7678]
_cell_length_b [3.7678]
_cell_length_c [20.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr5Cd4Ga]
_chemical_formula_sum '[Pr5 Cd4 Ga1]'
_cell_volume [285.0485]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.0909  1.0
  Pr  Pr1  2  0.5000  0.5000  0.2952  1.0
  Pr  Pr2  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.1958  1.0
  Cd  Cd4  2  0.0000  0.0000  0.3979  1.0
  Ga  Ga5  1  0.0000  0.0000  0.0000  1.0
]