data_[Li6Pr4Au4]
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 [C2/m]
_cell_length_a [10.7309]
_cell_length_b [4.3268]
_cell_length_c [7.5369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(PrAu)2]
_chemical_formula_sum '[Li6 Pr4 Au4]'
_cell_volume [321.1094]
_cell_formula_units_Z [2]
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  0.1442  0.5000  0.4357  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr2  4  0.1391  0.0000  0.7762  1.0
  Au  Au3  4  0.1461  0.0000  0.2005  1.0
]