data_VCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.23
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   93.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Fe
_chemical_formula_sum   'V1 Cd2 Fe1'
_cell_volume   64.86
_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  0.19  0.0  0.64  1.0
  Cd  Cd0  1  0.62  0.62  0.46  1.0
  Cd  Cd1  1  0.4  0.0  0.83  1.0
  Fe  Fe2  1  0.79  0.62  0.62  1.0

data_VCd2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.23
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   93.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Fe
_chemical_formula_sum   'V1 Cd2 Fe1'
_cell_volume   64.86
_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  0.19  0.0  0.64  1.0
  Cd  Cd1  1  0.4  0.0  0.83  1.0
  Cd  Cd2  1  0.62  0.62  0.46  1.0
  Fe  Fe3  1  0.79  0.62  0.62  1.0

V Cd Cd Fe
V Cd Cd Fe 0 2 o o o 1 3 o o o 