data_TiTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   134.03
_cell_angle_beta   132.72
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcPd2
_chemical_formula_sum   'Ti1 Tc1 Pd2'
_cell_volume   60.34
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.04  1.0
  Pd  Pd0  1  0.0  0.96  0.07  1.0
  Pd  Pd1  1  0.91  0.0  0.98  1.0

data_TiTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.91
_cell_length_c   4.88
_cell_angle_alpha   113.64
_cell_angle_beta   112.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcPd2
_chemical_formula_sum   'Ti1 Tc1 Pd2'
_cell_volume   60.34
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.96  0.96  0.96  1.0
  Pd  Pd2  1  0.93  0.02  0.93  1.0
  Pd  Pd3  1  0.93  0.89  0.89  1.0

Ti Tc Pd Pd
Ti Tc Pd Pd 0 1 o o o 0 3 - o - 1 2 o - o 1 3 - o - 