data_KHgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgOs2
_chemical_formula_sum   'K1 Hg1 Os2'
_cell_volume   77.31
_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  0.85  0.0  0.0  1.0
  Os  Os2  1  0.43  0.61  0.3  1.0
  Os  Os3  1  0.43  0.39  0.3  1.0

data_KHgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   5.7
_cell_length_c   5.94
_cell_angle_alpha   118.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgOs2
_chemical_formula_sum   'K1 Hg1 Os2'
_cell_volume   77.31
_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  0.0  0.85  1.0
  Os  Os2  1  0.3  0.39  0.82  1.0
  Os  Os3  1  0.3  0.61  0.03  1.0

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