data_K2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   141.12
_cell_angle_beta   140.92
_cell_angle_gamma   56.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PIr
_chemical_formula_sum   'K2 P1 Ir1'
_cell_volume   82.1
_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  0.0  0.99  0.53  1.0
  K  K2  1  0.98  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.23  1.0

data_K2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.97
_cell_length_c   5.94
_cell_angle_alpha   109.54
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PIr
_chemical_formula_sum   'K2 P1 Ir1'
_cell_volume   82.1
_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  0.27  0.3  0.27  1.0
  K  K1  1  0.47  0.46  0.46  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.77  0.77  0.77  1.0

K K P Ir