data_Ta2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   140.97
_cell_angle_beta   140.97
_cell_angle_gamma   56.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2P
_chemical_formula_sum   'Ta2 P1'
_cell_volume   48.66
_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  Ta1  1  0.0  0.0  0.76  1.0
  Ta  Ta2  1  0.0  0.0  0.02  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ta2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   118.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2P
_chemical_formula_sum   'Ta4 P2'
_cell_volume   97.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.24  1.0
  Ta  Ta1  2  0.0  0.0  0.98  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ta Ta P
Ta Ta P 0 2 o o + 0 1 o o + 1 2 o o o 