data_SrTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.91
_cell_angle_alpha   113.09
_cell_angle_beta   113.09
_cell_angle_gamma   43.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Zn
_chemical_formula_sum   'Sr1 Tl2 Zn1'
_cell_volume   118.13
_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  0.02  0.0  0.68  1.0
  Tl  Tl1  1  0.01  0.0  0.29  1.0
  Tl  Tl2  1  0.03  0.0  0.06  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_SrTl2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   10.54
_cell_length_b   4.19
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   114.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Zn
_chemical_formula_sum   'Sr2 Tl4 Zn2'
_cell_volume   236.27
_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  0.0  0.0  0.68  1.0
  Tl  Tl1  2  0.0  0.0  0.06  1.0
  Tl  Tl2  2  0.5  0.5  0.29  1.0
  Zn  Zn3  2  0.49  0.5  0.0  1.0

Sr Tl Tl Zn
Sr Tl Tl Zn 0 1 o o o 0 3 o o + 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 