data_[La12Hg2Ru4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2145]
_cell_length_b [4.1958]
_cell_length_c [9.4890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6HgRu2Br3]
_chemical_formula_sum '[La12 Hg2 Ru4 Br6]'
_cell_volume [765.0675]
_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  0.0291  0.0000  0.2642  1.0
  La  La1  4  0.1651  0.5000  0.1341  1.0
  La  La2  4  0.1825  0.5000  0.5634  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru4  4  0.1666  0.0000  0.3404  1.0
  Br  Br5  4  0.1672  0.0000  0.8381  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]