data_[La12Al2Os4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0675]
_cell_length_b [4.2221]
_cell_length_c [9.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AlOs2Br3]
_chemical_formula_sum '[La12 Al2 Os4 Br6]'
_cell_volume [756.1515]
_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  0.0236  0.0000  0.2577  1.0
  La  La1  4  0.1636  0.5000  0.1310  1.0
  La  La2  4  0.1819  0.5000  0.5612  1.0
  Al  Al3  2  0.0000  0.5000  0.0000  1.0
  Os  Os4  4  0.1663  0.0000  0.3387  1.0
  Br  Br5  4  0.1656  0.0000  0.8379  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]