data_[Pr1Sc1Ge2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4532]
_cell_length_b [4.4532]
_cell_length_c [7.3798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrSc(GeAu)2]
_chemical_formula_sum '[Pr1 Sc1 Ge2 Au2]'
_cell_volume [126.7402]
_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  1  0.0000  0.0000  0.0042  1
  Sc  Sc1  1  0.0000  0.0000  0.5000  1
  Ge  Ge2  1  0.3333  0.6667  0.2311  1
  Ge  Ge3  1  0.6667  0.3333  0.6964  1
  Au  Au4  1  0.3333  0.6667  0.7478  1
  Au  Au5  1  0.6667  0.3333  0.3221  1
]