data_K2LiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   121.92
_cell_angle_beta   121.92
_cell_angle_gamma   86.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiHg
_chemical_formula_sum   'K2 Li1 Hg1'
_cell_volume   164.67
_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  0.02  0.26  1.0
  K  K2  1  0.02  0.0  0.26  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.52  1.0

data_K2LiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   133.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2LiHg
_chemical_formula_sum   'K4 Li2 Hg2'
_cell_volume   329.34
_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  4  0.25  0.49  0.76  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.48  0.0  0.48  1.0

K K Li Hg
K K Li Hg 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 