data_[La12Ru2Au4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9650]
_cell_length_b [4.3044]
_cell_length_c [9.3365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6RuAu2Br3]
_chemical_formula_sum '[La12 Ru2 Au4 Br6]'
_cell_volume [754.2959]
_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  0.0067  0.0000  0.2110  1.0
  La  La1  4  0.1467  0.5000  0.0972  1.0
  La  La2  4  0.1716  0.5000  0.5696  1.0
  Ru  Ru3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.1693  0.0000  0.3412  1.0
  Br  Br5  4  0.1678  0.0000  0.8335  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]