data_[Co2Tc2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8829]
_cell_length_b [2.6961]
_cell_length_c [4.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoTcIr2]
_chemical_formula_sum '[Co2 Tc2 Ir4]'
_cell_volume [109.3326]
_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  0.2504  0.0000  0.7521  1
  Tc  Tc1  2  0.0008  0.5000  0.5018  1
  Ir  Ir2  2  0.2496  0.5000  0.2580  1
  Ir  Ir3  2  0.4992  0.5000  0.9881  1
]