data_SrHf2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   142.33
_cell_angle_beta   133.45
_cell_angle_gamma   61.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Bi
_chemical_formula_sum   'Sr1 Hf2 Bi1'
_cell_volume   110.44
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.04  0.0  0.91  1.0
  Hf  Hf2  1  0.0  0.49  0.51  1.0
  Bi  Bi0  1  0.0  0.0  0.43  1.0

data_SrHf2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.99
_cell_length_c   6.31
_cell_angle_alpha   113.27
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Bi
_chemical_formula_sum   'Sr1 Hf2 Bi1'
_cell_volume   110.44
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.12  0.09  0.12  1.0
  Hf  Hf2  1  0.49  0.98  0.98  1.0
  Bi  Bi3  1  0.57  0.57  0.57  1.0

Sr Hf Hf Bi
Sr Hf Hf Bi 0 1 o o - 0 2 o - - 0 2 o o o 0 3 o o o 1 2 o - o 1 3 o o o 2 3 o o o 