data_AlTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.19
_cell_angle_alpha   98.9
_cell_angle_beta   98.9
_cell_angle_gamma   41.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlPd2
_chemical_formula_sum   'Al1 Tl1 Pd2'
_cell_volume   73.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.46  0.0  0.05  1.0
  Pd  Pd1  1  0.28  0.0  0.88  1.0
  Pd  Pd2  1  0.65  0.0  0.23  1.0

data_AlTlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.25
_cell_length_c   6.19
_cell_angle_alpha   98.9
_cell_angle_beta   90.0
_cell_angle_gamma   110.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlPd2
_chemical_formula_sum   'Al1 Tl1 Pd2'
_cell_volume   73.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.54  0.95  1.0
  Pd  Pd2  1  0.0  0.35  0.77  1.0
  Pd  Pd3  1  0.0  0.72  0.12  1.0

Al Tl Pd Pd
Al Tl Pd Pd 0 2 o o - 1 2 o o - 1 3 o o o 