data_[La12Au4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6976]
_cell_length_b [3.8885]
_cell_length_c [10.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AuC]
_chemical_formula_sum '[La12 Au4 C4]'
_cell_volume [553.4739]
_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  0.1328  0.0000  0.1692  1.0
  La  La1  4  0.1401  0.5000  0.4721  1.0
  La  La2  4  0.1627  0.0000  0.7908  1.0
  Au  Au3  4  0.0549  0.5000  0.8917  1.0
  C  C4  4  0.2496  0.0000  0.6484  1.0
]