data_VAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgSb2
_chemical_formula_sum   'V1 Ag1 Sb2'
_cell_volume   88.46
_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  V3  1  0.0  0.0  0.35  1.0
  Ag  Ag0  1  0.62  0.62  0.09  1.0
  Sb  Sb1  1  0.0  0.0  0.07  1.0
  Sb  Sb2  1  0.62  0.62  0.65  1.0

data_VAgSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAgSb2
_chemical_formula_sum   'V2 Ag2 Sb4'
_cell_volume   176.92
_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  0.35  1.0
  Ag  Ag1  2  0.12  0.5  0.09  1.0
  Sb  Sb2  2  0.0  0.0  0.07  1.0
  Sb  Sb3  2  0.12  0.5  0.65  1.0

V Ag Sb Sb
V Ag Sb Sb 0 1 - - o 0 2 o o o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 + + o 1 3 o o - 3 3 + o o 3 3 o + o 