data_SrHf2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   148.35
_cell_angle_beta   133.93
_cell_angle_gamma   56.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Co
_chemical_formula_sum   'Sr1 Hf2 Co1'
_cell_volume   91.81
_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  0.45  0.5  1.0
  Hf  Hf1  1  0.0  0.45  0.7  1.0
  Hf  Hf2  1  0.0  0.0  0.78  1.0
  Co  Co0  1  0.0  0.0  0.51  1.0

data_SrHf2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.89
_cell_length_c   6.25
_cell_angle_alpha   113.03
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Co
_chemical_formula_sum   'Sr1 Hf2 Co1'
_cell_volume   91.81
_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  0.5  0.95  0.95  1.0
  Hf  Hf1  1  0.22  0.22  0.22  1.0
  Hf  Hf2  1  0.3  0.74  0.74  1.0
  Co  Co3  1  0.49  0.49  0.49  1.0

Sr Hf Hf Co
Sr Hf Hf Co 0 1 o o o 1 3 o o o 2 3 o o o 