data_HfSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   124.31
_cell_angle_beta   124.31
_cell_angle_gamma   82.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Ru
_chemical_formula_sum   'Hf1 Sn2 Ru1'
_cell_volume   78.9
_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
  Hf  Hf0  1  0.0  0.0  0.71  1.0
  Sn  Sn2  1  0.31  0.0  0.85  1.0
  Sn  Sn3  1  0.0  0.31  0.85  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HfSn2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   131.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSn2Ru
_chemical_formula_sum   'Hf2 Sn4 Ru2'
_cell_volume   157.81
_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
  Hf  Hf0  2  0.0  0.0  0.71  1.0
  Sn  Sn1  4  0.35  0.35  0.55  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Hf Sn Sn Ru