data_HfVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.81
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVCu2
_chemical_formula_sum   'Hf1 V1 Cu2'
_cell_volume   59.2
_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  0.0  0.0  0.74  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.42  0.9  0.25  1.0
  Cu  Cu1  1  0.42  0.9  0.23  1.0

data_HfVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.81
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVCu2
_chemical_formula_sum   'Hf1 V1 Cu2'
_cell_volume   59.2
_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  0.0  0.74  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.42  0.9  0.23  1.0
  Cu  Cu3  1  0.42  0.9  0.25  1.0

Hf V Cu Cu
Hf V Cu Cu 0 1 o o + 2 3 o o o 