data_HfTaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.25
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaOs2
_chemical_formula_sum   'Hf1 Ta1 Os2'
_cell_volume   67.52
_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  0.0  1.0
  Ta  Ta3  1  0.86  0.0  0.74  1.0
  Os  Os1  1  0.71  0.13  0.46  1.0
  Os  Os2  1  0.01  0.13  0.02  1.0

data_HfTaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.25
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaOs2
_chemical_formula_sum   'Hf1 Ta1 Os2'
_cell_volume   67.52
_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  0.0  1.0
  Ta  Ta1  1  0.86  0.0  0.74  1.0
  Os  Os2  1  0.01  0.13  0.02  1.0
  Os  Os3  1  0.71  0.13  0.46  1.0

Hf Ta Os Os