data_Ta3FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   3.28
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3FeP
_chemical_formula_sum   'Ta6 Fe2 P2'
_cell_volume   162.58
_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  Ta4  1  0.03  0.46  0.06  1.0
  Ta  Ta5  1  0.5  0.82  0.46  1.0
  Ta  Ta6  1  0.72  0.82  0.34  1.0
  Ta  Ta7  1  0.81  0.46  0.19  1.0
  Ta  Ta8  1  0.05  0.46  0.82  1.0
  Ta  Ta9  1  0.48  0.82  0.71  1.0
  Fe  Fe0  1  0.82  0.82  0.65  1.0
  Fe  Fe1  1  0.71  0.46  0.88  1.0
  P  P2  1  0.99  0.46  0.29  1.0
  P  P3  1  0.54  0.82  0.23  1.0

data_Ta3FeP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.28
_cell_length_b   6.59
_cell_length_c   8.13
_cell_angle_alpha   112.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3FeP
_chemical_formula_sum   'Ta6 Fe2 P2'
_cell_volume   162.58
_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  0.18  0.96  0.57  1.0
  Ta  Ta1  2  0.18  0.71  0.94  1.0
  Ta  Ta2  2  0.18  0.74  0.7  1.0
  Fe  Fe3  2  0.18  0.06  0.89  1.0
  P  P4  2  0.18  0.78  0.47  1.0

Ta Ta Ta Ta Ta Ta Fe Fe P P