data_HfCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   133.83
_cell_angle_beta   133.83
_cell_angle_gamma   67.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Cu
_chemical_formula_sum   'Hf1 Co2 Cu1'
_cell_volume   52.96
_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  Hf3  1  0.0  0.84  0.95  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.84  0.0  0.95  1.0
  Cu  Cu2  1  0.0  0.0  0.91  1.0

data_HfCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   4.69
_cell_angle_alpha   113.09
_cell_angle_beta   113.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Cu
_chemical_formula_sum   'Hf1 Co2 Cu1'
_cell_volume   52.96
_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  Hf0  1  0.89  0.84  0.89  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.05  0.0  0.89  1.0
  Cu  Cu3  1  0.09  0.0  0.09  1.0

Hf Co Co Cu