data_Ta2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   35.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PPt
_chemical_formula_sum   'Ta2 P1 Pt1'
_cell_volume   65.27
_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  0.0  0.0  0.59  1.0
  Ta  Ta3  1  0.8  0.0  0.56  1.0
  P  P0  1  0.0  0.0  0.15  1.0
  Pt  Pt1  1  0.8  0.0  0.71  1.0

data_Ta2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.6
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PPt
_chemical_formula_sum   'Ta2 P1 Pt1'
_cell_volume   65.27
_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  0.41  0.0  0.41  1.0
  Ta  Ta1  1  0.44  0.8  0.44  1.0
  P  P2  1  0.85  0.0  0.85  1.0
  Pt  Pt3  1  0.29  0.8  0.29  1.0

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