data_Tl2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.21
_cell_angle_alpha   112.04
_cell_angle_beta   112.04
_cell_angle_gamma   32.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiPd
_chemical_formula_sum   'Tl2 Bi1 Pd1'
_cell_volume   104.07
_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  Tl2  1  0.99  0.0  0.79  1.0
  Tl  Tl3  1  0.28  0.0  0.0  1.0
  Bi  Bi0  1  0.13  0.0  0.4  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Tl2BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.21
_cell_length_c   6.4
_cell_angle_alpha   112.04
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiPd
_chemical_formula_sum   'Tl2 Bi1 Pd1'
_cell_volume   104.07
_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  0.0  0.28  1.0
  Tl  Tl1  1  0.0  0.79  0.99  1.0
  Bi  Bi2  1  0.0  0.4  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Tl Tl Bi Pd