data_[Ni2Ir4Os2]
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 [Cm]
_cell_length_a [8.9014]
_cell_length_b [2.7120]
_cell_length_c [4.6148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiIr2Os]
_chemical_formula_sum '[Ni2 Ir4 Os2]'
_cell_volume [109.6746]
_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  0.0002  0.5000  0.4993  1.0
  Ir  Ir1  2  0.2493  0.5000  0.2615  1.0
  Os  Os2  2  0.2512  0.0000  0.7520  1.0
  Ir  Ir3  2  0.4992  0.5000  0.9872  1.0
]