data_VZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   128.02
_cell_angle_beta   128.02
_cell_angle_gamma   76.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSb2
_chemical_formula_sum   'V1 Zn1 Sb2'
_cell_volume   82.5
_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  0.04  1.0
  Sb  Sb0  1  0.0  0.26  0.02  1.0
  Sb  Sb1  1  0.26  0.0  0.02  1.0

data_VZnSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   128.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VZnSb2
_chemical_formula_sum   'V2 Zn2 Sb4'
_cell_volume   164.99
_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  2  0.46  0.5  0.96  1.0
  Sb  Sb2  4  0.11  0.13  0.24  1.0

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