data_KHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   135.68
_cell_angle_beta   135.68
_cell_angle_gamma   64.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg2Ru
_chemical_formula_sum   'K1 Hg2 Ru1'
_cell_volume   91.54
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.86  1.0
  Hg  Hg1  1  0.0  0.17  0.43  1.0
  Ru  Ru3  1  0.17  0.0  0.43  1.0

data_KHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.75
_cell_angle_alpha   112.16
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg2Ru
_chemical_formula_sum   'K1 Hg2 Ru1'
_cell_volume   91.54
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.14  0.0  0.14  1.0
  Hg  Hg2  1  0.74  0.17  0.74  1.0
  Ru  Ru3  1  0.57  0.0  0.74  1.0

K Hg Hg Ru