data_[Re2As2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8974]
_cell_length_b [2.8974]
_cell_length_c [12.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [ReAsIr]
_chemical_formula_sum '[Re2 As2 Ir2]'
_cell_volume [91.4850]
_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  1  0.3333  0.6667  0.0000  1
  Re  Re1  1  0.3333  0.6667  0.5000  1
  As  As2  2  0.0000  0.0000  0.1555  1
  Ir  Ir3  2  0.6667  0.3333  0.3353  1
]