data_K2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.71
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrHg
_chemical_formula_sum   'K2 Cr1 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  K2  1  0.09  0.36  0.61  1.0
  K  K3  1  0.09  0.36  0.89  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.75  1.0

data_K2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.71
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrHg
_chemical_formula_sum   'K2 Cr1 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  0.09  0.36  0.61  1.0
  K  K1  1  0.09  0.36  0.89  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.75  1.0

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