data_[La8Ir1Au2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7005]
_cell_length_b [7.1680]
_cell_length_c [7.7895]
_cell_angle_alpha [93.6568]
_cell_angle_beta [103.3383]
_cell_angle_gamma [92.4685]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La8IrAu2C]
_chemical_formula_sum '[La8 Ir1 Au2 C1]'
_cell_volume [362.6480]
_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
[
  La  La0  2  0.1608  0.7062  0.9121  1.0
  La  La1  2  0.2217  0.6119  0.4670  1.0
  La  La2  2  0.2321  0.1915  0.8086  1.0
  La  La3  2  0.2837  0.0683  0.2815  1.0
  Ir  Ir4  1  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.4258  0.4589  0.1782  1.0
  C  C6  1  0.0000  0.0000  0.0000  1.0
]