data_YHfSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   3.35
_cell_angle_alpha   94.6
_cell_angle_beta   94.6
_cell_angle_gamma   105.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfSn2
_chemical_formula_sum   'Y1 Hf1 Sn2'
_cell_volume   97.32
_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  0.34  0.0  0.0  1.0
  Sn  Sn1  1  0.45  0.19  0.66  1.0
  Sn  Sn2  1  0.45  0.81  0.66  1.0

data_YHfSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   105.29
_cell_angle_beta   94.6
_cell_angle_gamma   94.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfSn2
_chemical_formula_sum   'Y1 Hf1 Sn2'
_cell_volume   97.32
_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  0.0  0.34  0.0  1.0
  Sn  Sn2  1  0.66  0.45  0.19  1.0
  Sn  Sn3  1  0.66  0.45  0.81  1.0

Y Hf Sn Sn