data_KPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   153.6
_cell_angle_beta   123.85
_cell_angle_gamma   63.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPIr2
_chemical_formula_sum   'K1 P1 Ir2'
_cell_volume   79.21
_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  K2  1  0.37  0.0  0.93  1.0
  P  P3  1  0.0  0.0  0.04  1.0
  Ir  Ir0  1  0.37  0.0  0.19  1.0
  Ir  Ir1  1  0.0  0.0  0.18  1.0

data_KPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.65
_cell_length_c   6.0
_cell_angle_alpha   118.07
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPIr2
_chemical_formula_sum   'K1 P1 Ir2'
_cell_volume   79.21
_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  0.0  0.93  0.56  1.0
  P  P1  1  0.0  0.04  0.04  1.0
  Ir  Ir2  1  0.0  0.18  0.18  1.0
  Ir  Ir3  1  0.0  0.19  0.82  1.0

K P Ir Ir