data_HgBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.41
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiRu2
_chemical_formula_sum   'Hg1 Bi1 Ru2'
_cell_volume   68.67
_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  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0
  Ru  Ru2  1  0.61  0.71  0.54  1.0
  Ru  Ru3  1  0.61  0.71  0.73  1.0

data_HgBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.41
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiRu2
_chemical_formula_sum   'Hg1 Bi1 Ru2'
_cell_volume   68.67
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.13  1.0
  Ru  Ru2  1  0.61  0.71  0.54  1.0
  Ru  Ru3  1  0.61  0.71  0.73  1.0

Hg Bi Ru Ru