data_Li2HfOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   121.28
_cell_angle_beta   119.81
_cell_angle_gamma   89.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfOs
_chemical_formula_sum   'Li2 Hf1 Os1'
_cell_volume   62.95
_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
  Li  Li1  1  0.0  0.25  0.17  1.0
  Li  Li2  1  0.0  0.0  0.79  1.0
  Hf  Hf0  1  0.0  0.0  0.6  1.0
  Os  Os3  1  0.0  0.25  0.01  1.0

data_Li2HfOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   60.19
_cell_angle_beta   60.64
_cell_angle_gamma   60.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfOs
_chemical_formula_sum   'Li2 Hf1 Os1'
_cell_volume   62.95
_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
  Li  Li0  1  0.17  0.0  0.08  1.0
  Li  Li1  1  0.79  0.0  0.21  1.0
  Hf  Hf2  1  0.6  0.0  0.4  1.0
  Os  Os3  1  0.01  0.0  0.23  1.0

Li Li Hf Os