data_VGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.1
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   103.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaTc2
_chemical_formula_sum   'V1 Ga1 Tc2'
_cell_volume   57.4
_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
  Ga  Ga0  1  0.73  0.0  0.57  1.0
  Tc  Tc1  1  0.55  0.05  0.86  1.0
  Tc  Tc2  1  0.9  0.05  0.27  1.0

data_VGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.1
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   103.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaTc2
_chemical_formula_sum   'V1 Ga1 Tc2'
_cell_volume   57.4
_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
  Ga  Ga1  1  0.73  0.0  0.57  1.0
  Tc  Tc2  1  0.55  0.05  0.86  1.0
  Tc  Tc3  1  0.9  0.05  0.27  1.0

V Ga Tc Tc
V Ga Tc Tc 0 2 - o - 0 3 - o o 1 2 o o o 1 3 o o o 