data_KHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   144.81
_cell_angle_beta   130.56
_cell_angle_gamma   62.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPt2
_chemical_formula_sum   'K1 Hg1 Pt2'
_cell_volume   102.24
_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
  Hg  Hg0  1  0.0  0.0  0.29  1.0
  Pt  Pt2  1  0.0  0.58  0.65  1.0
  Pt  Pt3  1  0.87  0.0  0.65  1.0

data_KHgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.17
_cell_length_c   6.18
_cell_angle_alpha   114.72
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPt2
_chemical_formula_sum   'K1 Hg1 Pt2'
_cell_volume   102.24
_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
  Hg  Hg1  1  0.0  0.29  0.29  1.0
  Pt  Pt2  1  0.0  0.65  0.78  1.0
  Pt  Pt3  1  0.42  0.06  0.06  1.0

K Hg Pt Pt