data_[K4Ta2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6971]
_cell_length_b [3.8460]
_cell_length_c [11.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2TaIr]
_chemical_formula_sum '[K4 Ta2 Ir2]'
_cell_volume [290.6887]
_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  0.0445  0.0000  0.0849  1
  K  K1  2  0.2166  0.0000  0.6982  1
  Ta  Ta2  2  0.4660  0.0000  0.4063  1
  Ir  Ir3  2  0.2728  0.5000  0.3106  1
]