data_[Ni2Ir12Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8466]
_cell_length_b [2.7232]
_cell_length_c [11.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ni(Ir2Os)3]
_chemical_formula_sum '[Ni2 Ir12 Os6]'
_cell_volume [290.7821]
_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
[
  Ni  Ni0  2  0.0391  0.2500  0.7298  1
  Os  Os1  2  0.0768  0.2500  0.0919  1
  Ir  Ir2  2  0.1189  0.2500  0.4780  1
  Ir  Ir3  2  0.1927  0.7500  0.9292  1
  Ir  Ir4  2  0.2204  0.7500  0.2883  1
  Ir  Ir5  2  0.2540  0.7500  0.6946  1
  Ir  Ir6  2  0.3479  0.2500  0.1274  1
  Os  Os7  2  0.3819  0.7500  0.4985  1
  Os  Os8  2  0.4236  0.2500  0.9088  1
  Ir  Ir9  2  0.4885  0.2500  0.6920  1
]