data_[Pr3In3Ni1Pt1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.8462]
_cell_length_b [7.8462]
_cell_length_c [4.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pr3In3NiPtAu]
_chemical_formula_sum '[Pr3 In3 Ni1 Pt1 Au1]'
_cell_volume [213.3258]
_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  3  0.0112  0.5956  0.5000  1
  In  In1  3  0.2400  0.0009  0.0000  1
  Ni  Ni2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  1  0.3333  0.6667  0.0000  1
  Au  Au4  1  0.6667  0.3333  0.0000  1
]