data_TePd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   139.38
_cell_angle_beta   130.58
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2Pt
_chemical_formula_sum   'Te1 Pd2 Pt1'
_cell_volume   69.76
_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
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.19  0.38  1.0
  Pd  Pd1  1  0.82  0.0  0.01  1.0
  Pt  Pt2  1  0.0  0.0  0.39  1.0

data_TePd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.37
_cell_length_c   5.23
_cell_angle_alpha   114.71
_cell_angle_beta   110.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePd2Pt
_chemical_formula_sum   'Te1 Pd2 Pt1'
_cell_volume   69.76
_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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.62  0.81  0.81  1.0
  Pd  Pd2  1  0.8  0.99  0.8  1.0
  Pt  Pt3  1  0.61  0.61  0.61  1.0

Te Pd Pd Pt
Te Pd Pd Pt 0 2 - o o 1 2 - o o 1 3 o o o 