data_TaP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Pd
_chemical_formula_sum   'Ta1 P2 Pd1'
_cell_volume   62.09
_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  0.62  1.0
  P  P0  1  0.8  0.0  0.4  1.0
  P  P1  1  0.8  0.0  0.83  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TaP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Pd
_chemical_formula_sum   'Ta1 P2 Pd1'
_cell_volume   62.09
_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  0.62  1.0
  P  P1  1  0.8  0.0  0.4  1.0
  P  P2  1  0.8  0.0  0.83  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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