data_YHf2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.72
_cell_length_c   9.72
_cell_angle_alpha   19.67
_cell_angle_beta   19.67
_cell_angle_gamma   19.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Os
_chemical_formula_sum   'Y1 Hf2 Os1'
_cell_volume   91.0
_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  0.0  0.0  0.91  1.0
  Hf  Hf1  1  0.0  0.0  0.67  1.0
  Os  Os2  1  0.0  0.0  0.29  1.0

data_YHf2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   3.32
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHf2Os
_chemical_formula_sum   'Y2 Hf4 Os2'
_cell_volume   181.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.09  1.0
  Hf  Hf2  2  0.0  0.0  0.33  1.0
  Os  Os3  2  0.0  0.0  0.71  1.0

Y Hf Hf Os
Y Hf Hf Os 0 1 o o - 0 3 o o o 1 2 o o o 1 3 o o + 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 