data_HfRu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   31.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRu2Se
_chemical_formula_sum   'Hf1 Ru2 Se1'
_cell_volume   65.38
_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  0.99  0.0  0.26  1.0
  Ru  Ru1  1  0.0  0.0  0.15  1.0
  Ru  Ru2  1  0.99  0.0  0.92  1.0
  Se  Se3  1  0.0  0.0  0.44  1.0

data_HfRu2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   3.99
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfRu2Se
_chemical_formula_sum   'Hf1 Ru2 Se1'
_cell_volume   65.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.74  0.5  0.74  1.0
  Ru  Ru1  1  0.08  0.5  0.08  1.0
  Ru  Ru2  1  0.85  0.5  0.85  1.0
  Se  Se3  1  0.56  0.5  0.56  1.0

Hf Ru Ru Se