data_Ta2NbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbP
_chemical_formula_sum   'Ta2 Nb1 P1'
_cell_volume   67.66
_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
  Ta  Ta2  1  0.72  0.0  0.23  1.0
  Ta  Ta3  1  0.0  0.0  0.17  1.0
  Nb  Nb0  1  0.72  0.0  0.87  1.0
  P  P1  1  0.0  0.0  0.05  1.0

data_Ta2NbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbP
_chemical_formula_sum   'Ta2 Nb1 P1'
_cell_volume   67.66
_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
  Ta  Ta0  1  0.0  0.0  0.17  1.0
  Ta  Ta1  1  0.72  0.0  0.23  1.0
  Nb  Nb2  1  0.72  0.0  0.87  1.0
  P  P3  1  0.0  0.0  0.05  1.0

Ta Ta Nb P
Ta Ta Nb P 0 1 + o o 1 3 o o o 2 3 + o + 