data_K2NiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.01
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   40.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiHg
_chemical_formula_sum   'K2 Ni1 Hg1'
_cell_volume   133.4
_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  0.29  0.0  0.54  1.0
  K  K2  1  0.51  0.0  0.32  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.4  0.0  0.43  1.0

data_K2NiHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.46
_cell_length_c   7.01
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   110.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiHg
_chemical_formula_sum   'K2 Ni1 Hg1'
_cell_volume   133.4
_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  0.49  0.68  1.0
  K  K1  1  0.0  0.71  0.46  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.6  0.57  1.0

K K Ni Hg
K K Ni Hg 0 3 o o o 0 2 o o + 0 2 o o o 1 3 o o o 1 2 + o o 1 2 o o o 1 2 + - o 2 2 + - o 2 3 o o o 