data_HgTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   25.92
_cell_angle_beta   25.92
_cell_angle_gamma   25.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTe2Ru
_chemical_formula_sum   'Hg1 Te2 Ru1'
_cell_volume   107.21
_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
  Hg  Hg0  1  0.0  0.0  0.47  1.0
  Te  Te2  1  0.0  0.0  0.84  1.0
  Te  Te3  1  0.0  0.0  0.09  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HgTe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   3.86
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgTe2Ru
_chemical_formula_sum   'Hg2 Te4 Ru2'
_cell_volume   214.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hg  Hg0  2  0.0  0.0  0.53  1.0
  Te  Te1  2  -0.0  0.0  0.91  1.0
  Te  Te2  2  0.0  0.0  0.16  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Hg Te Te Ru
Hg Te Te Ru 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 