data_K2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.12
_cell_angle_alpha   105.32
_cell_angle_beta   105.32
_cell_angle_gamma   26.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgIr
_chemical_formula_sum   'K2 Hg1 Ir1'
_cell_volume   112.12
_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  0.33  0.0  0.42  1.0
  K  K3  1  0.7  0.0  0.09  1.0
  Hg  Hg0  1  0.91  0.0  0.03  1.0
  Ir  Ir1  1  0.65  0.0  0.29  1.0

data_K2HgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   6.12
_cell_length_c   6.53
_cell_angle_alpha   105.32
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgIr
_chemical_formula_sum   'K2 Hg1 Ir1'
_cell_volume   112.12
_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  0.09  0.7  1.0
  K  K1  1  0.0  0.42  0.33  1.0
  Hg  Hg2  1  0.0  0.03  0.91  1.0
  Ir  Ir3  1  0.0  0.29  0.65  1.0

K K Hg Ir