data_[La8Ru2Br10]
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 [C2/m]
_cell_length_a [18.9324]
_cell_length_b [4.2844]
_cell_length_c [9.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4RuBr5]
_chemical_formula_sum '[La8 Ru2 Br10]'
_cell_volume [710.5682]
_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  0.0011  0.0000  0.2246  1.0
  La  La1  4  0.1455  0.5000  0.0840  1.0
  Ru  Ru2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1692  0.0000  0.3374  1.0
  Br  Br4  4  0.1715  0.0000  0.8493  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]