data_VCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   2.5
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V1 Cr3'
_cell_volume   47.86
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.44  0.0  0.09  1.0
  Cr  Cr1  1  0.0  0.0  0.07  1.0
  Cr  Cr2  1  0.44  0.0  0.04  1.0

data_VCr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   2.5
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V1 Cr3'
_cell_volume   47.86
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.07  1.0
  Cr  Cr2  1  0.44  0.0  0.04  1.0
  Cr  Cr3  1  0.44  0.0  0.09  1.0

V Cr Cr Cr
V Cr Cr Cr 0 2 o o o 1 3 o o o 