data_[La9Ru2Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.9046]
_cell_length_b [8.9046]
_cell_length_c [11.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [La9(RuBr7)2]
_chemical_formula_sum '[La9 Ru2 Br14]'
_cell_volume [823.1907]
_cell_formula_units_Z [1]
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  6  0.0895  0.3608  0.3514  1
  La  La1  2  0.3333  0.6667  0.0615  1
  La  La2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  2  0.3333  0.6667  0.2674  1
  Br  Br4  6  0.0495  0.6901  0.9065  1
  Br  Br5  6  0.0954  0.4167  0.6068  1
  Br  Br6  2  0.0000  0.0000  0.2537  1
]