data_V(ZnAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   152.05
_cell_angle_beta   152.05
_cell_angle_gamma   39.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(ZnAs)2
_chemical_formula_sum   'V1 Zn2 As2'
_cell_volume   82.24
_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  0.74  0.39  1.0
  Zn  Zn4  1  0.74  0.0  0.39  1.0
  As  As0  1  0.0  0.0  0.06  1.0
  As  As1  1  0.0  0.0  0.5  1.0

data_V(ZnAs)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   109.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V(ZnAs)2
_chemical_formula_sum   'V2 Zn4 As4'
_cell_volume   164.49
_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  0.02  0.37  0.65  1.0
  As  As2  2  0.06  0.0  0.06  1.0
  As  As3  2  0.5  0.0  0.5  1.0

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