data_[Pr3Ga6Ni9]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.9569]
_cell_length_b [8.9569]
_cell_length_c [4.1482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [PrGa2Ni3]
_chemical_formula_sum '[Pr3 Ga6 Ni9]'
_cell_volume [288.2116]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.5000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  3  0.0000  0.4718  0.0000  1.0
  Ga  Ga3  3  0.0000  0.7266  0.5000  1.0
  Ni  Ni4  6  0.1684  0.7939  0.0000  1.0
  Ni  Ni5  3  0.0000  0.2870  0.5000  1.0
]