data_VAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   25.71
_cell_angle_beta   25.71
_cell_angle_gamma   25.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2B
_chemical_formula_sum   'V1 Ag2 B1'
_cell_volume   59.31
_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  0.98  1.0
  Ag  Ag0  1  0.0  0.0  0.05  1.0
  Ag  Ag1  1  0.0  0.0  0.62  1.0
  B  B2  1  0.0  0.0  0.06  1.0

data_VAg2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAg2B
_chemical_formula_sum   'V2 Ag4 B2'
_cell_volume   118.62
_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  0.02  1.0
  Ag  Ag1  2  -0.0  0.0  0.95  1.0
  Ag  Ag2  2  -0.0  0.0  0.38  1.0
  B  B3  2  -0.0  0.0  0.94  1.0

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