data_K2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   5.79
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   93.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcIr
_chemical_formula_sum   'K2 Tc1 Ir1'
_cell_volume   80.43
_cell_formula_units_Z   1
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  K1  1  0.98  0.9  0.26  1.0
  K  K2  1  0.49  0.9  0.7  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.24  0.0  0.48  1.0

data_K2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.97
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcIr
_chemical_formula_sum   'K2 Tc1 Ir1'
_cell_volume   80.43
_cell_formula_units_Z   1
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  1  0.02  0.74  0.1  1.0
  K  K1  1  0.51  0.3  0.1  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.76  0.52  0.0  1.0

K K Tc Ir