data_K2YHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   6.76
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   93.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YHg
_chemical_formula_sum   'K2 Y1 Hg1'
_cell_volume   147.54
_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  0.65  0.38  0.51  1.0
  K  K2  1  0.78  0.38  0.2  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.71  0.0  0.86  1.0

data_K2YHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.73
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YHg
_chemical_formula_sum   'K2 Y1 Hg1'
_cell_volume   147.54
_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  0.22  0.8  0.62  1.0
  K  K1  1  0.35  0.49  0.62  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.29  0.14  0.0  1.0

K K Y Hg