data_Sr2TlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   8.72
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   57.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlPd
_chemical_formula_sum   'Sr2 Tl1 Pd1'
_cell_volume   137.15
_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
  Sr  Sr1  1  0.23  0.0  0.74  1.0
  Sr  Sr2  1  0.36  0.0  0.71  1.0
  Tl  Tl3  1  0.8  0.0  0.23  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sr2TlPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.4
_cell_length_c   8.72
_cell_angle_alpha   102.42
_cell_angle_beta   90.0
_cell_angle_gamma   118.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlPd
_chemical_formula_sum   'Sr2 Tl1 Pd1'
_cell_volume   137.15
_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
  Sr  Sr0  1  0.0  0.64  0.29  1.0
  Sr  Sr1  1  0.0  0.77  0.26  1.0
  Tl  Tl2  1  0.0  0.2  0.77  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sr Sr Tl Pd