data_YHfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   138.32
_cell_angle_beta   138.32
_cell_angle_gamma   60.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfOs2
_chemical_formula_sum   'Y1 Hf1 Os2'
_cell_volume   75.35
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.98  0.0  0.4  1.0
  Os  Os1  1  0.0  0.0  0.81  1.0
  Os  Os2  1  0.0  0.98  0.4  1.0

data_YHfOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.56
_cell_angle_alpha   110.84
_cell_angle_beta   110.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfOs2
_chemical_formula_sum   'Y1 Hf1 Os2'
_cell_volume   75.35
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.4  0.42  0.42  1.0
  Os  Os2  1  0.42  0.4  0.42  1.0
  Os  Os3  1  0.81  0.81  0.81  1.0

Y Hf Os Os