data_Hf2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   130.73
_cell_angle_beta   125.27
_cell_angle_gamma   76.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsOs
_chemical_formula_sum   'Hf2 As1 Os1'
_cell_volume   72.08
_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  Hf1  1  0.0  0.27  0.89  1.0
  Hf  Hf2  1  0.06  0.0  0.98  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.87  1.0

data_Hf2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.53
_cell_length_c   4.93
_cell_angle_alpha   117.37
_cell_angle_beta   114.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsOs
_chemical_formula_sum   'Hf2 As1 Os1'
_cell_volume   72.08
_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  0.98  0.92  1.0
  Hf  Hf1  1  0.73  0.62  0.62  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.87  0.87  1.0

Hf Hf As Os