data_TaHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.09
_cell_angle_alpha   103.0
_cell_angle_beta   103.0
_cell_angle_gamma   36.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgRu2
_chemical_formula_sum   'Ta1 Hg1 Ru2'
_cell_volume   67.6
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.93  0.0  0.47  1.0
  Ru  Ru1  1  0.47  0.0  0.87  1.0
  Ru  Ru2  1  0.4  0.0  0.07  1.0

data_TaHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.78
_cell_length_c   5.09
_cell_angle_alpha   103.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgRu2
_chemical_formula_sum   'Ta1 Hg1 Ru2'
_cell_volume   67.6
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.07  0.53  1.0
  Ru  Ru2  1  0.0  0.53  0.13  1.0
  Ru  Ru3  1  0.0  0.6  0.93  1.0

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