data_[Cr16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.6954]
_cell_length_b [3.6954]
_cell_length_c [22.4465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Cr2Os]
_chemical_formula_sum '[Cr16 Os8]'
_cell_volume [306.5277]
_cell_formula_units_Z [8]
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
[
  Cr  Cr0  8  0.0000  0.0000  0.2511  1
  Cr  Cr1  8  0.0000  0.0000  0.4166  1
  Os  Os2  8  0.0000  0.0000  0.0822  1
]