data_[Li14Er2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3189]
_cell_length_b [4.7225]
_cell_length_c [8.5120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.3447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7ErAu4]
_chemical_formula_sum '[Li14 Er2 Au8]'
_cell_volume [425.6327]
_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  0.0626  0.0000  0.4169  1
  Li  Li1  4  0.1874  0.5000  0.6354  1
  Li  Li2  4  0.2169  0.0000  0.8750  1
  Li  Li3  2  0.0000  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.0000  1
  Au  Au5  4  0.0599  0.5000  0.7762  1
  Au  Au6  4  0.1920  0.5000  0.3372  1
]