data_TaNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2P
_chemical_formula_sum   'Ta1 Nb2 P1'
_cell_volume   65.76
_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  Ta3  1  0.78  0.0  0.15  1.0
  Nb  Nb0  1  0.78  0.15  0.0  1.0
  Nb  Nb1  1  0.0  0.15  0.15  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2P
_chemical_formula_sum   'Ta1 Nb2 P1'
_cell_volume   65.76
_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  0.78  0.0  0.15  1.0
  Nb  Nb1  1  0.0  0.15  0.15  1.0
  Nb  Nb2  1  0.78  0.15  -0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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