data_HfIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   135.16
_cell_angle_beta   135.16
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Cu
_chemical_formula_sum   'Hf1 In2 Cu1'
_cell_volume   80.91
_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
  Hf  Hf1  1  0.0  0.0  0.62  1.0
  In  In2  1  0.0  0.09  0.31  1.0
  In  In3  1  0.09  0.0  0.31  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_HfIn2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   122.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIn2Cu
_chemical_formula_sum   'Hf2 In4 Cu2'
_cell_volume   161.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.38  0.0  0.38  1.0
  In  In1  4  0.24  0.45  0.78  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Hf In In Cu