data_[La6Ga10Au12]
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 [Pmmn]
_cell_length_a [4.4803]
_cell_length_b [13.6621]
_cell_length_c [9.7765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La3Ga5Au6]
_chemical_formula_sum '[La6 Ga10 Au12]'
_cell_volume [598.4217]
_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
[
  La  La0  4  0.0000  0.3198  0.7563  1
  La  La1  2  0.0000  0.0000  0.7499  1
  Ga  Ga2  4  0.0000  0.1139  0.4538  1
  Ga  Ga3  4  0.0000  0.3318  0.1302  1
  Ga  Ga4  2  0.0000  0.0000  0.2068  1
  Au  Au5  4  0.0000  0.1488  0.0048  1
  Au  Au6  4  0.0000  0.3117  0.3982  1
  Au  Au7  2  0.0000  0.5000  0.5174  1
  Au  Au8  2  0.0000  0.5000  0.9794  1
]