data_VZn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   147.57
_cell_angle_beta   147.57
_cell_angle_gamma   46.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn4
_chemical_formula_sum   'V1 Zn4'
_cell_volume   78.55
_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  0.81  0.0  0.98  1.0
  Zn  Zn2  1  0.0  0.0  0.79  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0
  Zn  Zn4  1  0.0  0.81  0.98  1.0

data_VZn4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   113.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VZn4
_chemical_formula_sum   'V2 Zn8'
_cell_volume   157.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.41  0.41  0.83  1.0
  Zn  Zn2  2  0.0  0.0  0.21  1.0
  Zn  Zn3  2  0.0  0.0  0.85  1.0

V Zn Zn Zn Zn
V Zn Zn Zn Zn 0 1 - o - 0 4 o - - 0 3 o o o 0 2 o o - 1 3 + o + 3 4 o - - 