data_[Li4As2Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0137]
_cell_length_b [3.0927]
_cell_length_c [8.5835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4As2Au5]
_chemical_formula_sum '[Li4 As2 Au5]'
_cell_volume [184.1321]
_cell_formula_units_Z [1]
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  0.1940  0.5000  0.8928  1.0
  Li  Li1  2  0.2570  0.5000  0.4273  1.0
  As  As2  2  0.0840  0.0000  0.6472  1.0
  Au  Au3  2  0.1562  0.0000  0.1404  1.0
  Au  Au4  2  0.4676  0.0000  0.6678  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]