data_KHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   132.36
_cell_angle_beta   132.36
_cell_angle_gamma   69.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgPt2
_chemical_formula_sum   'K1 Hg1 Pt2'
_cell_volume   101.46
_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  0.71  1.0
  Pt  Pt2  1  0.32  0.0  0.36  1.0
  Pt  Pt3  1  0.0  0.32  0.36  1.0

data_KHgPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   124.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHgPt2
_chemical_formula_sum   'K2 Hg2 Pt4'
_cell_volume   202.91
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.71  1.0
  Pt  Pt2  4  0.34  0.34  0.04  1.0

K Hg Pt Pt
K Hg Pt Pt 0 3 o o o 0 1 o o - 0 2 o o o 