data_TlGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.4
_cell_angle_alpha   105.87
_cell_angle_beta   105.87
_cell_angle_gamma   43.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Pd
_chemical_formula_sum   'Tl1 Ge2 Pd1'
_cell_volume   88.26
_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
  Tl  Tl3  1  0.99  0.0  0.66  1.0
  Ge  Ge0  1  0.71  0.0  0.63  1.0
  Ge  Ge1  1  0.73  0.0  0.35  1.0
  Pd  Pd2  1  0.25  0.0  0.67  1.0

data_TlGe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.6
_cell_length_c   6.4
_cell_angle_alpha   105.87
_cell_angle_beta   90.0
_cell_angle_gamma   111.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Pd
_chemical_formula_sum   'Tl1 Ge2 Pd1'
_cell_volume   88.26
_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
  Tl  Tl0  1  0.0  0.01  0.34  1.0
  Ge  Ge1  1  0.0  0.27  0.65  1.0
  Ge  Ge2  1  0.0  0.29  0.37  1.0
  Pd  Pd3  1  0.0  0.75  0.33  1.0

Tl Ge Ge Pd
Tl Ge Ge Pd 0 1 o o o 0 3 + o o 0 2 o o o 1 2 o o o 