data_V2TcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TcCl
_chemical_formula_sum   'V2 Tc1 Cl1'
_cell_volume   59.12
_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  V2  1  0.55  0.0  0.94  1.0
  V  V3  1  0.55  0.0  0.06  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_V2TcCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   8.0
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   113.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2TcCl
_chemical_formula_sum   'V2 Tc1 Cl1'
_cell_volume   59.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.55  0.44  0.0  1.0
  Tc  Tc1  1  0.0  0.5  0.0  1.0
  Cl  Cl2  1  0.0  0.5  0.0  1.0

V V Tc Cl 0 1 o o + 2 3 o o o 