data_YHf2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.7
_cell_angle_alpha   102.37
_cell_angle_beta   102.37
_cell_angle_gamma   34.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Bi
_chemical_formula_sum   'Y1 Hf2 Bi1'
_cell_volume   101.0
_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  0.74  0.0  0.69  1.0
  Hf  Hf1  1  0.76  0.0  0.5  1.0
  Hf  Hf2  1  0.87  0.0  0.31  1.0
  Bi  Bi0  1  0.72  0.0  0.37  1.0

data_YHf2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.68
_cell_length_c   5.7
_cell_angle_alpha   102.37
_cell_angle_beta   90.0
_cell_angle_gamma   107.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Bi
_chemical_formula_sum   'Y1 Hf2 Bi1'
_cell_volume   101.0
_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  Y0  1  0.0  0.26  0.31  1.0
  Hf  Hf1  1  0.0  0.13  0.69  1.0
  Hf  Hf2  1  0.0  0.24  0.5  1.0
  Bi  Bi3  1  0.0  0.28  0.63  1.0

Y Hf Hf Bi
Y Hf Hf Bi 0 1 o o o 1 3 o o o 2 3 o o o 