data_TaP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.49
_cell_angle_alpha   90.65
_cell_angle_beta   90.65
_cell_angle_gamma   40.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP3
_chemical_formula_sum   'Ta1 P3'
_cell_volume   63.23
_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  0.33  0.0  0.24  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.84  0.0  0.36  1.0
  P  P2  1  0.81  0.0  0.13  1.0

data_TaP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.49
_cell_length_c   4.64
_cell_angle_alpha   90.65
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP3
_chemical_formula_sum   'Ta1 P3'
_cell_volume   63.23
_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  0.24  0.33  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.13  0.81  1.0
  P  P3  1  0.0  0.36  0.84  1.0

Ta P P P