data_[La12Au2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1716]
_cell_length_b [12.5608]
_cell_length_c [7.4358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AuCl5]
_chemical_formula_sum '[La12 Au2 Cl10]'
_cell_volume [633.7413]
_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  8  0.2432  0.3290  0.7446  1
  La  La1  4  0.2332  0.5000  0.2399  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0000  0.1525  0.5000  1
  Cl  Cl4  4  0.0000  0.3292  0.0000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]