data_[La6Al3Os3]
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 [R3m]
_cell_length_a [4.4156]
_cell_length_b [4.4156]
_cell_length_c [19.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2AlOs]
_chemical_formula_sum '[La6 Al3 Os3]'
_cell_volume [334.8057]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7828  1.0
  La  La1  3  0.0000  0.0000  0.9669  1.0
  Al  Al2  3  0.0000  0.0000  0.2080  1.0
  Os  Os3  3  0.0000  0.0000  0.5423  1.0
]