data_[Pr12Ga8Ni12]
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 [Cmcm]
_cell_length_a [4.2309]
_cell_length_b [11.0337]
_cell_length_c [13.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Ga2Ni3]
_chemical_formula_sum '[Pr12 Ga8 Ni12]'
_cell_volume [653.0529]
_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  0.0000  0.0800  0.6088  1.0
  Pr  Pr1  4  0.0000  0.3630  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2136  0.0858  1.0
  Ni  Ni3  8  0.0000  0.3915  0.5372  1.0
  Ni  Ni4  4  0.0000  0.3182  0.2500  1.0
]