data_[Pr2Ga4Ni3Ru1]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2307]
_cell_length_b [4.2307]
_cell_length_c [9.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2Ga4Ni3Ru]
_chemical_formula_sum '[Pr2 Ga4 Ni3 Ru1]'
_cell_volume [176.7580]
_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  0.0000  0.5000  0.7445  1.0
  Ga  Ga1  2  0.0000  0.5000  0.3704  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.1250  1.0
  Ni  Ni5  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru6  1  0.5000  0.5000  0.5000  1.0
]