data_TaSb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.07
_cell_angle_beta   134.07
_cell_angle_gamma   66.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb2P
_chemical_formula_sum   'Ta1 Sb2 P1'
_cell_volume   82.55
_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  0.0  0.0  0.55  1.0
  Sb  Sb1  1  0.13  0.0  0.28  1.0
  Sb  Sb2  1  0.0  0.13  0.28  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_TaSb2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   123.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSb2P
_chemical_formula_sum   'Ta2 Sb4 P2'
_cell_volume   165.11
_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  0.45  0.0  0.45  1.0
  Sb  Sb1  4  0.29  0.44  0.85  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ta Sb Sb P
Ta Sb Sb P 0 2 o o o 0 1 o o o 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 