data_VTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   148.63
_cell_angle_beta   136.31
_cell_angle_gamma   54.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcP2
_chemical_formula_sum   'V1 Tc1 P2'
_cell_volume   54.84
_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  0.26  1.0
  Tc  Tc2  1  0.45  0.0  0.6  1.0
  P  P0  1  0.0  0.99  0.55  1.0
  P  P1  1  0.0  0.0  0.6  1.0

data_VTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.98
_cell_length_c   5.35
_cell_angle_alpha   111.85
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcP2
_chemical_formula_sum   'V1 Tc1 P2'
_cell_volume   54.84
_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  0.26  0.26  1.0
  Tc  Tc1  1  0.0  0.6  0.15  1.0
  P  P2  1  0.0  0.6  0.6  1.0
  P  P3  1  0.01  0.56  0.56  1.0

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