data_SrTl2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   140.58
_cell_angle_beta   132.65
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Hg
_chemical_formula_sum   'Sr1 Tl2 Hg1'
_cell_volume   125.25
_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  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.18  0.0  0.93  1.0
  Tl  Tl3  1  0.0  0.6  0.58  1.0
  Hg  Hg0  1  0.0  0.0  0.51  1.0

data_SrTl2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.2
_cell_length_c   6.48
_cell_angle_alpha   113.68
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Hg
_chemical_formula_sum   'Sr1 Tl2 Hg1'
_cell_volume   125.25
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.93  0.75  1.0
  Tl  Tl2  1  0.4  0.98  0.98  1.0
  Hg  Hg3  1  0.0  0.51  0.51  1.0

Sr Tl Tl Hg