data_VFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.65
_cell_angle_alpha   97.01
_cell_angle_beta   97.01
_cell_angle_gamma   33.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeCu2
_chemical_formula_sum   'V1 Fe1 Cu2'
_cell_volume   48.51
_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  V3  1  0.68  0.0  0.42  1.0
  Fe  Fe2  1  0.86  0.0  0.33  1.0
  Cu  Cu0  1  0.02  0.0  0.05  1.0
  Cu  Cu1  1  0.18  0.0  0.12  1.0

data_VFeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.39
_cell_length_c   4.65
_cell_angle_alpha   97.01
_cell_angle_beta   90.0
_cell_angle_gamma   106.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeCu2
_chemical_formula_sum   'V1 Fe1 Cu2'
_cell_volume   48.51
_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  0.0  0.32  0.58  1.0
  Fe  Fe1  1  0.0  0.14  0.67  1.0
  Cu  Cu2  1  0.0  0.82  0.88  1.0
  Cu  Cu3  1  0.0  0.98  0.95  1.0

V Fe Cu Cu
V Fe Cu Cu 0 1 o o o 2 3 o o o 