data_Ta2HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   133.15
_cell_angle_beta   133.15
_cell_angle_gamma   68.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2HgRu
_chemical_formula_sum   'Ta2 Hg1 Ru1'
_cell_volume   68.91
_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  Ta2  1  0.02  0.0  0.1  1.0
  Ta  Ta3  1  0.0  0.02  0.1  1.0
  Hg  Hg0  1  0.0  0.0  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Ta2HgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   124.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2HgRu
_chemical_formula_sum   'Ta4 Hg2 Ru2'
_cell_volume   137.82
_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
  Ta  Ta0  4  0.41  0.49  0.92  1.0
  Hg  Hg1  2  0.29  0.5  0.79  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Ta Ta Hg Ru