data_[La12Al8Os4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3600]
_cell_length_b [8.9467]
_cell_length_c [7.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Al2Os]
_chemical_formula_sum '[La12 Al8 Os4]'
_cell_volume [677.1243]
_cell_formula_units_Z [4]
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  0.1607  0.0763  0.4715  1
  La  La1  4  0.0000  0.3976  0.7500  1
  Al  Al2  8  0.2030  0.2702  0.1377  1
  Os  Os3  4  0.0000  0.2877  0.2500  1
]