data_VAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2Sb
_chemical_formula_sum   'V1 Ag2 Sb1'
_cell_volume   77.53
_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  0.0  1.0
  Ag  Ag0  1  0.38  0.2  0.59  1.0
  Ag  Ag1  1  0.38  0.8  0.59  1.0
  Sb  Sb2  1  0.76  0.0  0.0  1.0

data_VAg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   115.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2Sb
_chemical_formula_sum   'V1 Ag2 Sb1'
_cell_volume   77.53
_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
  Ag  Ag1  1  0.59  0.38  0.8  1.0
  Ag  Ag2  1  0.59  0.38  0.2  1.0
  Sb  Sb3  1  0.0  0.76  0.0  1.0

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