data_[Al10Cr2Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2444]
_cell_length_b [12.7373]
_cell_length_c [6.0516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al5CrOs6]
_chemical_formula_sum '[Al10 Cr2 Os12]'
_cell_volume [327.1673]
_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  4  0.0000  0.3322  0.0000  1
  Al  Al1  4  0.0000  0.3334  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
  Os  Os4  8  0.0000  0.1647  0.2491  1
  Os  Os5  4  0.0000  0.5000  0.2466  1
]