data_[Co2Si4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8728]
_cell_length_b [4.6767]
_cell_length_c [7.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CoSi2Ir]
_chemical_formula_sum '[Co2 Si4 Ir2]'
_cell_volume [106.4714]
_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  0.0000  0.0000  0.4773  1
  Si  Si1  2  0.0000  0.0000  0.0009  1
  Si  Si2  2  0.0000  0.5000  0.2623  1
  Ir  Ir3  2  0.0000  0.5000  0.7595  1
]