data_VZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   126.47
_cell_angle_beta   126.47
_cell_angle_gamma   79.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnCr2
_chemical_formula_sum   'V1 Zn1 Cr2'
_cell_volume   50.39
_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  0.0  1.0
  Zn  Zn3  1  0.95  0.0  0.66  1.0
  Cr  Cr0  1  0.0  0.0  0.33  1.0
  Cr  Cr1  1  0.0  0.95  0.66  1.0

data_VZnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.32
_cell_angle_alpha   116.77
_cell_angle_beta   116.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnCr2
_chemical_formula_sum   'V1 Zn1 Cr2'
_cell_volume   50.39
_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
  Zn  Zn1  1  0.66  0.72  0.72  1.0
  Cr  Cr2  1  0.33  0.33  0.33  1.0
  Cr  Cr3  1  0.72  0.66  0.72  1.0

V Zn Cr Cr