data_HfZnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   145.54
_cell_angle_beta   131.32
_cell_angle_gamma   61.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnOs2
_chemical_formula_sum   'Hf1 Zn1 Os2'
_cell_volume   63.29
_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  0.19  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.46  1.0
  Os  Os1  1  0.0  0.0  0.11  1.0
  Os  Os2  1  0.58  0.0  0.26  1.0

data_HfZnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.38
_cell_length_c   5.32
_cell_angle_alpha   114.34
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnOs2
_chemical_formula_sum   'Hf1 Zn1 Os2'
_cell_volume   63.29
_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  0.67  0.86  0.86  1.0
  Zn  Zn1  1  0.54  0.54  0.54  1.0
  Os  Os2  1  0.31  0.74  0.31  1.0
  Os  Os3  1  0.89  0.89  0.89  1.0

Hf Zn Os Os