data_[Li2Pr4Cu2Au12]
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
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6486]
_cell_length_b [5.4763]
_cell_length_c [8.6877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr2CuAu6]
_chemical_formula_sum '[Li2 Pr4 Cu2 Au12]'
_cell_volume [441.2667]
_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  2  0.0000  0.5000  0.5000  1
  Pr  Pr1  4  0.2430  0.5000  0.2098  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.0198  0.2487  0.7640  1
  Au  Au4  4  0.2485  0.0000  0.3984  1
]