data_VCdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.84
_cell_angle_alpha   102.17
_cell_angle_beta   102.17
_cell_angle_gamma   112.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdSi2
_chemical_formula_sum   'V1 Cd1 Si2'
_cell_volume   62.97
_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
  Cd  Cd0  1  0.84  0.0  0.0  1.0
  Si  Si1  1  0.88  0.89  0.32  1.0
  Si  Si2  1  0.88  0.11  0.32  1.0

data_VCdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   112.22
_cell_angle_beta   102.17
_cell_angle_gamma   102.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdSi2
_chemical_formula_sum   'V1 Cd1 Si2'
_cell_volume   62.97
_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
  Cd  Cd1  1  0.0  0.84  0.0  1.0
  Si  Si2  1  0.32  0.88  0.11  1.0
  Si  Si3  1  0.32  0.88  0.89  1.0

V Cd Si Si
V Cd Si Si 0 1 - o o 0 2 - - o 1 3 o o o 1 2 o - o 2 3 o + o 