data_KIrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.03
_cell_length_c   3.12
_cell_angle_alpha   82.18
_cell_angle_beta   75.72
_cell_angle_gamma   22.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIrPt
_chemical_formula_sum   'K1 Ir1 Pt1'
_cell_volume   72.56
_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  0.85  0.51  0.42  1.0
  Ir  Ir0  1  0.85  0.51  0.03  1.0
  Pt  Pt2  1  0.85  0.51  0.19  1.0

data_KIrPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   15.64
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   126.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KIrPt
_chemical_formula_sum   'K2 Ir2 Pt2'
_cell_volume   145.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.35  0.5  0.27  1.0
  Ir  Ir1  2  0.35  0.5  0.87  1.0
  Pt  Pt2  2  0.35  0.5  0.04  1.0

K Ir Pt
K Ir Pt 0 2 o o o 1 2 o o o 