data_[La16Au4C4]
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/c]
_cell_length_a [8.5501]
_cell_length_b [14.8728]
_cell_length_c [6.5258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4AuC]
_chemical_formula_sum '[La16 Au4 C4]'
_cell_volume [707.4993]
_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  8  0.1276  0.1989  0.6281  1
  La  La1  8  0.2291  0.0466  0.1957  1
  Au  Au2  4  0.0000  0.3814  0.2500  1
  C  C3  4  0.0000  0.0716  0.7500  1
]