data_[La4Ga8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8184]
_cell_length_b [4.5093]
_cell_length_c [7.4043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaGa2Au3]
_chemical_formula_sum '[La4 Ga8 Au12]'
_cell_volume [509.7029]
_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
[
  La  La0  4  0.1474  0.0000  0.2153  1.0
  Ga  Ga1  4  0.0100  0.5000  0.8397  1.0
  Ga  Ga2  4  0.1964  0.0000  0.7005  1.0
  Au  Au3  4  0.0392  0.0000  0.7092  1.0
  Au  Au4  4  0.1254  0.5000  0.5060  1.0
  Au  Au5  4  0.1816  0.5000  0.9368  1.0
]