data_V2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GaCu
_chemical_formula_sum   'V2 Ga1 Cu1'
_cell_volume   53.59
_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
  V  V2  1  0.29  0.04  0.33  1.0
  V  V3  1  0.29  0.96  0.33  1.0
  Ga  Ga1  1  0.58  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_V2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   113.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GaCu
_chemical_formula_sum   'V2 Ga1 Cu1'
_cell_volume   53.59
_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
  V  V0  1  0.33  0.29  0.04  1.0
  V  V1  1  0.33  0.29  0.96  1.0
  Ga  Ga2  1  -0.0  0.58  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

V V Ga Cu
V V Ga Cu 0 1 o - o 0 2 o o o 0 3 o o o 1 2 o + o 1 3 o + o 