data_VZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.65
_cell_angle_alpha   96.59
_cell_angle_beta   96.59
_cell_angle_gamma   46.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSb2
_chemical_formula_sum   'V1 Zn1 Sb2'
_cell_volume   89.85
_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  0.58  0.0  0.3  1.0
  Sb  Sb0  1  0.58  0.0  0.53  1.0
  Sb  Sb1  1  0.58  0.0  0.07  1.0

data_VZnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.35
_cell_length_c   6.65
_cell_angle_alpha   96.59
_cell_angle_beta   90.0
_cell_angle_gamma   113.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSb2
_chemical_formula_sum   'V1 Zn1 Sb2'
_cell_volume   89.85
_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  0.0  0.42  0.7  1.0
  Sb  Sb2  1  0.0  0.42  0.47  1.0
  Sb  Sb3  1  0.0  0.42  0.93  1.0

V Zn Sb Sb
V Zn Sb Sb 0 3 - o o 1 3 o o o 1 2 o o o 