data_SrHf2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   5.53
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Cu
_chemical_formula_sum   'Sr1 Hf2 Cu1'
_cell_volume   94.75
_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  0.37  0.0  0.68  1.0
  Hf  Hf1  1  0.35  0.77  0.18  1.0
  Hf  Hf2  1  0.39  0.77  0.18  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_SrHf2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.38
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Cu
_chemical_formula_sum   'Sr1 Hf2 Cu1'
_cell_volume   94.75
_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  0.63  0.32  0.0  1.0
  Hf  Hf1  1  0.61  0.82  0.23  1.0
  Hf  Hf2  1  0.65  0.82  0.23  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Sr Hf Hf Cu