data_V2CrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38
_cell_length_b   4.07
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrCu
_chemical_formula_sum   'V2 Cr1 Cu1'
_cell_volume   50.85
_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  0.0  0.0  0.21  1.0
  V  V3  1  0.19  0.04  0.36  1.0
  Cr  Cr0  1  0.0  0.0  0.62  1.0
  Cu  Cu1  1  0.19  0.04  0.94  1.0

data_V2CrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.38
_cell_length_b   4.07
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrCu
_chemical_formula_sum   'V2 Cr1 Cu1'
_cell_volume   50.85
_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  0.0  0.21  1.0
  V  V1  1  0.19  0.04  0.36  1.0
  Cr  Cr2  1  0.0  0.0  0.62  1.0
  Cu  Cu3  1  0.19  0.04  0.94  1.0

V V Cr Cu
V V Cr Cu 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o o 