data_HfNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.2
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Os
_chemical_formula_sum   'Hf1 Ni2 Os1'
_cell_volume   55.64
_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  0.12  0.0  0.78  1.0
  Ni  Ni1  1  0.34  0.1  0.01  1.0
  Ni  Ni2  1  0.19  0.0  0.32  1.0
  Os  Os3  1  0.99  0.1  0.14  1.0

data_HfNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.2
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Os
_chemical_formula_sum   'Hf1 Ni2 Os1'
_cell_volume   55.64
_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  0.12  0.0  0.78  1.0
  Ni  Ni1  1  0.19  0.0  0.32  1.0
  Ni  Ni2  1  0.34  0.1  0.01  1.0
  Os  Os3  1  0.99  0.1  0.14  1.0

Hf Ni Ni Os