data_[La12Au4Cl2]
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 [P2_1/c]
_cell_length_a [6.9400]
_cell_length_b [7.7084]
_cell_length_c [12.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Au2Cl]
_chemical_formula_sum '[La12 Au4 Cl2]'
_cell_volume [576.4627]
_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  0.0822  0.6938  0.9334  1
  La  La1  4  0.2663  0.1662  0.9350  1
  La  La2  4  0.4092  0.5354  0.7462  1
  Au  Au3  4  0.1635  0.6203  0.2410  1
  Cl  Cl4  2  0.5000  0.0000  0.5000  1
]