data_Ta2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.22
_cell_angle_alpha   111.88
_cell_angle_beta   111.88
_cell_angle_gamma   33.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeP
_chemical_formula_sum   'Ta2 Fe1 P1'
_cell_volume   57.95
_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  Ta2  1  0.08  0.0  0.11  1.0
  Ta  Ta3  1  0.15  0.0  0.81  1.0
  Fe  Fe0  1  0.9  0.0  0.88  1.0
  P  P1  1  0.36  0.0  0.03  1.0

data_Ta2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.22
_cell_length_c   5.2
_cell_angle_alpha   111.88
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeP
_chemical_formula_sum   'Ta2 Fe1 P1'
_cell_volume   57.95
_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  0.11  0.08  1.0
  Ta  Ta1  1  0.0  0.81  0.15  1.0
  Fe  Fe2  1  0.0  0.88  0.9  1.0
  P  P3  1  0.0  0.03  0.36  1.0

Ta Ta Fe P
Ta Ta Fe P 0 2 - o - 1 3 o o + 