data_[Pr4Mg3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8833]
_cell_length_b [3.8833]
_cell_length_c [15.2920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr4Mg3Au]
_chemical_formula_sum '[Pr4 Mg3 Au1]'
_cell_volume [230.6067]
_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  0.0000  0.1150  1
  Pr  Pr1  2  0.0000  0.0000  0.3708  1
  Mg  Mg2  2  0.5000  0.5000  0.2468  1
  Mg  Mg3  1  0.5000  0.5000  0.5000  1
  Au  Au4  1  0.5000  0.5000  0.0000  1
]