data_[Re4Ni2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9126]
_cell_length_b [2.6864]
_cell_length_c [4.7370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re2NiIr]
_chemical_formula_sum '[Re4 Ni2 Ir2]'
_cell_volume [112.0785]
_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
[
  Re  Re0  2  0.2479  0.0000  0.7446  1
  Re  Re1  2  0.4996  0.5000  0.0119  1
  Ni  Ni2  2  0.2475  0.5000  0.2451  1
  Ir  Ir3  2  0.0050  0.5000  0.4984  1
]