data_[Pr4Ga16Ni8]
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 [Pnma]
_cell_length_a [17.0043]
_cell_length_b [4.1082]
_cell_length_c [6.8274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr(Ga2Ni)2]
_chemical_formula_sum '[Pr4 Ga16 Ni8]'
_cell_volume [476.9432]
_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  4  0.1207  0.7500  0.5169  1
  Ga  Ga1  4  0.0362  0.2500  0.2383  1
  Ga  Ga2  4  0.0947  0.7500  0.0067  1
  Ga  Ga3  4  0.1861  0.2500  0.8429  1
  Ga  Ga4  4  0.2027  0.2500  0.2342  1
  Ni  Ni5  4  0.0358  0.2500  0.8432  1
  Ni  Ni6  4  0.2330  0.7500  0.0479  1
]