data_Hf2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   6.03
_cell_angle_alpha   101.7
_cell_angle_beta   101.7
_cell_angle_gamma   47.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoCu
_chemical_formula_sum   'Hf2 Co1 Cu1'
_cell_volume   69.98
_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  Hf2  1  0.86  0.0  0.52  1.0
  Hf  Hf3  1  0.18  0.0  0.36  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.02  0.0  0.94  1.0

data_Hf2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.03
_cell_length_c   6.03
_cell_angle_alpha   101.7
_cell_angle_beta   90.0
_cell_angle_gamma   113.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoCu
_chemical_formula_sum   'Hf2 Co1 Cu1'
_cell_volume   69.98
_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  0.0  0.14  0.48  1.0
  Hf  Hf1  1  0.0  0.82  0.64  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.98  0.06  1.0

Hf Hf Co Cu