data_[Li4Pr4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [8.3648]
_cell_length_b [8.3648]
_cell_length_c [4.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [LiPrAu]
_chemical_formula_sum '[Li4 Pr4 Au4]'
_cell_volume [291.2536]
_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
[
  Li  Li0  4  0.0931  0.8532  0.5000  1
  Pr  Pr1  4  0.2145  0.4137  0.5000  1
  Au  Au2  4  0.0652  0.6614  0.0000  1
]