data_[Co4Re2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7208]
_cell_length_b [2.6661]
_cell_length_c [4.4705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co2ReIr]
_chemical_formula_sum '[Co4 Re2 Ir2]'
_cell_volume [102.1745]
_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
[
  Co  Co0  2  0.2523  0.0000  0.7615  1
  Co  Co1  2  0.4980  0.5000  0.9924  1
  Re  Re2  2  0.2480  0.5000  0.2433  1
  Ir  Ir3  2  0.0016  0.5000  0.5027  1
]