data_NbTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.63
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcP2
_chemical_formula_sum   'Nb1 Tc1 P2'
_cell_volume   58.87
_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
  Nb  Nb0  1  0.0  0.31  0.04  1.0
  Tc  Tc3  1  0.54  0.0  0.12  1.0
  P  P1  1  0.0  0.0  0.1  1.0
  P  P2  1  0.54  0.31  0.07  1.0

data_NbTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.13
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcP2
_chemical_formula_sum   'Nb1 Tc1 P2'
_cell_volume   58.87
_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
  Nb  Nb0  1  0.0  0.96  0.69  1.0
  Tc  Tc1  1  0.46  0.88  0.0  1.0
  P  P2  1  0.0  0.9  0.0  1.0
  P  P3  1  0.46  0.93  0.69  1.0

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