data_[La16Ge6Ru2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  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 [15.2727]
_cell_length_b [8.7502]
_cell_length_c [8.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ge3RuBr4]
_chemical_formula_sum '[La16 Ge6 Ru2 Br8]'
_cell_volume [991.1677]
_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  8  0.0106  0.2345  0.2971  1.0
  La  La1  4  0.2334  0.0000  0.7120  1.0
  La  La2  4  0.2397  0.5000  0.7199  1.0
  Ge  Ge3  4  0.2500  0.2500  0.5000  1.0
  Ge  Ge4  2  0.0000  0.5000  0.5000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  4  0.2500  0.2500  0.0000  1.0
  Br  Br7  2  0.0000  0.0000  0.0000  1.0
  Br  Br8  2  0.0000  0.5000  0.0000  1.0
]