data_HfVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.54
_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   58.79
_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  0.77  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.4  0.4  0.73  1.0
  Cu  Cu1  1  0.4  0.4  0.81  1.0

data_HfVCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfVCu2
_chemical_formula_sum   'Hf2 V2 Cu4'
_cell_volume   117.58
_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  0.0  0.0  0.77  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.4  0.0  0.73  1.0
  Cu  Cu3  2  0.4  0.0  0.81  1.0

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