data_VZnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   135.56
_cell_angle_beta   131.11
_cell_angle_gamma   68.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSi2
_chemical_formula_sum   'V1 Zn1 Si2'
_cell_volume   53.29
_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  0.0  0.0  0.88  1.0
  Si  Si0  1  0.77  0.0  0.93  1.0
  Si  Si1  1  0.0  0.94  0.95  1.0

data_VZnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.88
_cell_length_c   4.68
_cell_angle_alpha   114.44
_cell_angle_beta   112.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSi2
_chemical_formula_sum   'V1 Zn1 Si2'
_cell_volume   53.29
_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  0.12  0.12  0.12  1.0
  Si  Si2  1  0.05  0.99  0.99  1.0
  Si  Si3  1  0.84  0.07  0.84  1.0

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