data_KSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   7.15
_cell_angle_alpha   98.68
_cell_angle_beta   98.68
_cell_angle_gamma   37.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Hg
_chemical_formula_sum   'K1 Sn2 Hg1'
_cell_volume   132.65
_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
  Sn  Sn2  1  0.58  0.0  0.32  1.0
  Sn  Sn3  1  0.77  0.0  0.74  1.0
  Hg  Hg0  1  0.67  0.0  0.53  1.0

data_KSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.54
_cell_length_c   7.15
_cell_angle_alpha   98.68
_cell_angle_beta   90.0
_cell_angle_gamma   108.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Hg
_chemical_formula_sum   'K1 Sn2 Hg1'
_cell_volume   132.65
_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
  Sn  Sn1  1  0.0  0.23  0.26  1.0
  Sn  Sn2  1  0.0  0.42  0.68  1.0
  Hg  Hg3  1  0.0  0.33  0.47  1.0

K Sn Sn Hg