data_YTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   134.41
_cell_angle_beta   134.41
_cell_angle_gamma   66.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlPd2
_chemical_formula_sum   'Y1 Tl1 Pd2'
_cell_volume   80.83
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.11  0.0  0.28  1.0
  Pd  Pd0  1  0.0  0.11  0.28  1.0
  Pd  Pd1  1  0.0  0.0  0.55  1.0

data_YTlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.44
_cell_angle_alpha   112.8
_cell_angle_beta   112.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlPd2
_chemical_formula_sum   'Y1 Tl1 Pd2'
_cell_volume   80.83
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.28  0.17  0.17  1.0
  Pd  Pd2  1  0.17  0.28  0.17  1.0
  Pd  Pd3  1  0.55  0.55  0.55  1.0

Y Tl Pd Pd
Y Tl Pd Pd 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 