data_KNi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.65
_cell_angle_alpha   94.79
_cell_angle_beta   94.79
_cell_angle_gamma   36.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Ir
_chemical_formula_sum   'K1 Ni2 Ir1'
_cell_volume   74.53
_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  0.0  0.0  1.0
  Ni  Ni2  1  0.56  0.0  0.28  1.0
  Ni  Ni3  1  0.15  0.0  0.35  1.0
  Ir  Ir0  1  0.85  0.0  0.31  1.0

data_KNi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.36
_cell_length_c   6.65
_cell_angle_alpha   94.79
_cell_angle_beta   90.0
_cell_angle_gamma   108.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Ir
_chemical_formula_sum   'K1 Ni2 Ir1'
_cell_volume   74.53
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.44  0.72  1.0
  Ni  Ni2  1  0.0  0.85  0.65  1.0
  Ir  Ir3  1  0.0  0.15  0.69  1.0

K Ni Ni Ir