data_TaFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.8
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   118.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2P
_chemical_formula_sum   'Ta1 Fe2 P1'
_cell_volume   53.13
_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  0.52  0.0  0.0  1.0
  Fe  Fe0  1  0.63  0.9  0.25  1.0
  Fe  Fe1  1  0.63  0.1  0.25  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.54
_cell_length_c   4.9
_cell_angle_alpha   115.36
_cell_angle_beta   103.27
_cell_angle_gamma   96.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2P
_chemical_formula_sum   'Ta1 Fe2 P1'
_cell_volume   53.13
_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  0.52  1.0
  Fe  Fe1  1  0.15  0.9  0.53  1.0
  Fe  Fe2  1  0.36  0.1  0.74  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ta Fe Fe P