data_KLi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   146.86
_cell_angle_beta   124.92
_cell_angle_gamma   65.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Hg
_chemical_formula_sum   'K1 Li2 Hg1'
_cell_volume   119.19
_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
  Li  Li2  1  0.0  0.99  0.17  1.0
  Li  Li3  1  0.84  0.0  0.26  1.0
  Hg  Hg0  1  0.0  0.0  0.42  1.0

data_KLi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.97
_cell_length_c   6.46
_cell_angle_alpha   117.54
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Hg
_chemical_formula_sum   'K1 Li2 Hg1'
_cell_volume   119.19
_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
  Li  Li1  1  0.59  0.74  0.59  1.0
  Li  Li2  1  0.83  0.82  0.82  1.0
  Hg  Hg3  1  0.58  0.58  0.58  1.0

K Li Li Hg