data_HfTi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   19.07
_cell_angle_beta   19.07
_cell_angle_gamma   19.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Os
_chemical_formula_sum   'Hf1 Ti2 Os1'
_cell_volume   70.56
_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
  Ti  Ti2  1  0.0  0.0  0.45  1.0
  Ti  Ti3  1  0.0  0.0  0.38  1.0
  Os  Os1  1  0.0  0.0  0.42  1.0

data_HfTi2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTi2Os
_chemical_formula_sum   'Hf2 Ti4 Os2'
_cell_volume   141.12
_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  0.0  1.0
  Ti  Ti1  2  -0.0  0.0  0.55  1.0
  Ti  Ti2  2  -0.0  0.0  0.62  1.0
  Os  Os3  2  -0.0  0.0  0.58  1.0

Hf Ti Ti Os