data_TaPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   31.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPPt2
_chemical_formula_sum   'Ta1 P1 Pt2'
_cell_volume   62.37
_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  0.89  0.0  0.81  1.0
  P  P0  1  0.0  0.0  0.36  1.0
  Pt  Pt1  1  0.89  0.0  0.8  1.0
  Pt  Pt2  1  0.0  0.0  0.88  1.0

data_TaPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.77
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPPt2
_chemical_formula_sum   'Ta1 P1 Pt2'
_cell_volume   62.37
_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  0.19  0.89  0.19  1.0
  P  P1  1  0.64  0.0  0.64  1.0
  Pt  Pt2  1  0.12  0.0  0.12  1.0
  Pt  Pt3  1  0.2  0.89  0.2  1.0

Ta P Pt Pt