data_[Re2Ni2Ir6]
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 [P-1]
_cell_length_a [2.7156]
_cell_length_b [6.6063]
_cell_length_c [8.8647]
_cell_angle_alpha [68.3832]
_cell_angle_beta [81.2726]
_cell_angle_gamma [78.4529]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReNiIr3]
_chemical_formula_sum '[Re2 Ni2 Ir6]'
_cell_volume [144.3268]
_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  0.1777  0.7220  0.4272  1
  Ni  Ni1  2  0.0894  0.2942  0.0619  1
  Ir  Ir2  2  0.1301  0.4857  0.7484  1
  Ir  Ir3  2  0.2796  0.0660  0.8589  1
  Ir  Ir4  2  0.4998  0.1429  0.3527  1
]