data_VCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   131.86
_cell_angle_beta   131.86
_cell_angle_gamma   70.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Mo
_chemical_formula_sum   'V1 Cr2 Mo1'
_cell_volume   53.95
_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  0.89  0.0  0.89  1.0
  Cr  Cr1  1  0.0  0.0  0.78  1.0
  Mo  Mo2  1  0.0  0.89  0.89  1.0

data_VCr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.63
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Mo
_chemical_formula_sum   'V1 Cr2 Mo1'
_cell_volume   53.95
_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  0.11  0.0  1.0  1.0
  Cr  Cr2  1  0.22  0.0  0.22  1.0
  Mo  Mo3  1  1.0  0.89  1.0  1.0

V Cr Cr Mo
V Cr Cr Mo 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 