data_KHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   154.9
_cell_angle_beta   154.9
_cell_angle_gamma   35.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPt
_chemical_formula_sum   'K1 Hg1 Pt1'
_cell_volume   71.75
_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  0.54  1.0
  Hg  Hg0  1  0.0  0.0  0.33  1.0
  Pt  Pt2  1  0.0  0.0  0.15  1.0

data_KHgPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHgPt
_chemical_formula_sum   'K2 Hg2 Pt2'
_cell_volume   143.49
_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  0.04  0.5  0.54  1.0
  Hg  Hg1  2  0.33  0.0  0.33  1.0
  Pt  Pt2  2  0.15  0.0  0.15  1.0

K Hg Pt
K Hg Pt 0 1 o o o 1 2 o o o 