data_VZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.09
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnIn2
_chemical_formula_sum   'V1 Zn1 In2'
_cell_volume   75.58
_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  0.95  1.0
  Zn  Zn3  1  0.58  0.05  0.29  1.0
  In  In0  1  0.0  0.0  0.73  1.0
  In  In1  1  0.58  0.05  0.63  1.0

data_VZnIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.09
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnIn2
_chemical_formula_sum   'V1 Zn1 In2'
_cell_volume   75.58
_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  0.95  1.0
  Zn  Zn1  1  0.58  0.05  0.29  1.0
  In  In2  1  0.0  0.0  0.73  1.0
  In  In3  1  0.58  0.05  0.63  1.0

V Zn In In
V Zn In In 0 2 o o o 0 1 - o + 1 3 o o o 2 3 - o o 