data_VAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.07
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2B
_chemical_formula_sum   'V1 Ag2 B1'
_cell_volume   56.99
_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  0.33  0.0  0.44  1.0
  Ag  Ag0  1  0.82  0.03  0.74  1.0
  Ag  Ag1  1  0.71  0.03  0.13  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_VAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.07
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2B
_chemical_formula_sum   'V1 Ag2 B1'
_cell_volume   56.99
_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  0.33  0.0  0.44  1.0
  Ag  Ag1  1  0.71  0.03  0.13  1.0
  Ag  Ag2  1  0.82  0.03  0.74  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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