data_HfAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.7
_cell_angle_alpha   105.17
_cell_angle_beta   105.17
_cell_angle_gamma   39.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs2Os
_chemical_formula_sum   'Hf1 As2 Os1'
_cell_volume   67.1
_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  Hf2  1  0.93  0.0  0.02  1.0
  As  As0  1  0.77  0.0  0.29  1.0
  As  As1  1  0.46  0.0  0.33  1.0
  Os  Os3  1  0.32  0.0  0.65  1.0

data_HfAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.7
_cell_length_c   4.83
_cell_angle_alpha   105.17
_cell_angle_beta   109.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs2Os
_chemical_formula_sum   'Hf1 As2 Os1'
_cell_volume   67.1
_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  0.02  0.93  1.0
  As  As1  1  0.0  0.29  0.77  1.0
  As  As2  1  0.0  0.33  0.46  1.0
  Os  Os3  1  0.0  0.65  0.32  1.0

Hf As As Os
Hf As As Os 0 1 o o o 1 2 o o o 2 3 o o o 