data_HfGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.57
_cell_angle_alpha   99.97
_cell_angle_beta   99.97
_cell_angle_gamma   41.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Os
_chemical_formula_sum   'Hf1 Ge2 Os1'
_cell_volume   67.99
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.81  0.0  0.6  1.0
  Ge  Ge1  1  0.21  0.0  0.87  1.0
  Os  Os3  1  0.51  0.0  0.74  1.0

data_HfGe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.31
_cell_length_c   5.57
_cell_angle_alpha   99.97
_cell_angle_beta   90.0
_cell_angle_gamma   110.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Os
_chemical_formula_sum   'Hf1 Ge2 Os1'
_cell_volume   67.99
_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
  Ge  Ge1  1  0.0  0.19  0.4  1.0
  Ge  Ge2  1  0.0  0.79  0.13  1.0
  Os  Os3  1  0.0  0.49  0.26  1.0

Hf Ge Ge Os