data_[Al2Ir2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9720]
_cell_length_b [2.7631]
_cell_length_c [4.6957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlIrOs2]
_chemical_formula_sum '[Al2 Ir2 Os4]'
_cell_volume [114.8590]
_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
[
  Al  Al0  2  0.4979  0.0000  0.4816  1
  Ir  Ir1  2  0.2479  0.5000  0.2705  1
  Os  Os2  2  0.2550  0.0000  0.7713  1
  Os  Os3  2  0.4993  0.5000  0.9766  1
]