data_VTcAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   95.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcAg2
_chemical_formula_sum   'V1 Tc1 Ag2'
_cell_volume   64.35
_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  0.79  0.0  0.34  1.0
  Tc  Tc2  1  0.91  0.88  0.17  1.0
  Ag  Ag0  1  0.21  0.88  0.97  1.0
  Ag  Ag1  1  0.34  0.0  0.52  1.0

data_VTcAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   95.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcAg2
_chemical_formula_sum   'V1 Tc1 Ag2'
_cell_volume   64.35
_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  0.79  0.0  0.34  1.0
  Tc  Tc1  1  0.91  0.88  0.17  1.0
  Ag  Ag2  1  0.21  0.88  0.97  1.0
  Ag  Ag3  1  0.34  0.0  0.52  1.0

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