data_Sr2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlCd
_chemical_formula_sum   'Sr2 Tl1 Cd1'
_cell_volume   136.21
_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  0.04  0.04  0.04  1.0
  Sr  Sr2  1  0.04  0.04  0.18  1.0
  Tl  Tl3  1  0.0  0.0  0.11  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Sr2TlCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TlCd
_chemical_formula_sum   'Sr4 Tl2 Cd2'
_cell_volume   272.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.04  1.0
  Sr  Sr1  2  0.04  0.0  0.18  1.0
  Tl  Tl2  2  0.0  0.0  0.11  1.0
  Cd  Cd3  2  0.0  0.0  0.0  1.0

Sr Sr Tl Cd
Sr Sr Tl Cd 0 3 o o o 0 2 o o o 1 2 o o o 