data_[K2Tc2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6091]
_cell_length_b [2.7251]
_cell_length_c [6.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTcIr2]
_chemical_formula_sum '[K2 Tc2 Ir4]'
_cell_volume [172.9075]
_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
[
  K  K0  2  0.0044  0.5000  0.5258  1
  Tc  Tc1  2  0.2069  0.5000  0.1036  1
  Ir  Ir2  2  0.2923  0.0000  0.8303  1
  Ir  Ir3  2  0.4964  0.5000  0.0403  1
]