data_[Li10Pr2Au14]
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 [Imm2]
_cell_length_a [5.3275]
_cell_length_b [9.3168]
_cell_length_c [9.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li5PrAu7]
_chemical_formula_sum '[Li10 Pr2 Au14]'
_cell_volume [456.6915]
_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  8  0.2468  0.2534  0.7477  1.0
  Li  Li1  2  0.0000  0.5000  0.2659  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0089  1.0
  Au  Au3  4  0.0000  0.2876  0.4903  1.0
  Au  Au4  4  0.0000  0.3400  0.0068  1.0
  Au  Au5  2  0.0000  0.0000  0.3464  1.0
  Au  Au6  2  0.0000  0.0000  0.6713  1.0
  Au  Au7  2  0.0000  0.5000  0.7224  1.0
]