data_TaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP
_chemical_formula_sum   'Ta2 P2'
_cell_volume   77.69
_cell_formula_units_Z   2
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  0.46  0.84  0.03  1.0
  Ta  Ta3  1  0.0  0.68  0.56  1.0
  P  P0  1  0.46  0.84  0.63  1.0
  P  P1  1  0.0  0.68  0.96  1.0

data_TaP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaP
_chemical_formula_sum   'Ta2 P2'
_cell_volume   77.69
_cell_formula_units_Z   2
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
  Ta  Ta0  2  0.23  0.58  0.73  1.0
  P  P1  2  0.23  0.58  0.34  1.0

Ta Ta P P