data_[Li4Er4Au4]
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 [10.4123]
_cell_length_b [3.9211]
_cell_length_c [7.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiErAu]
_chemical_formula_sum '[Li4 Er4 Au4]'
_cell_volume [263.8736]
_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  0.1824  0.0000  0.0677  1.0
  Er  Er1  4  0.0692  0.5000  0.3256  1.0
  Au  Au2  4  0.1529  0.0000  0.6805  1.0
]