data_SrMgTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgTl2
_chemical_formula_sum   'Sr1 Mg1 Tl2'
_cell_volume   125.78
_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  0.07  0.07  0.57  1.0
  Mg  Mg0  1  0.0  0.0  0.3  1.0
  Tl  Tl2  1  0.0  0.0  0.16  1.0
  Tl  Tl3  1  0.07  0.07  0.99  1.0

data_SrMgTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMgTl2
_chemical_formula_sum   'Sr2 Mg2 Tl4'
_cell_volume   251.56
_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  0.07  0.0  0.57  1.0
  Mg  Mg1  2  0.0  0.0  0.3  1.0
  Tl  Tl2  2  0.0  0.0  0.16  1.0
  Tl  Tl3  2  0.07  0.0  0.99  1.0

Sr Mg Tl Tl
Sr Mg Tl Tl 0 1 o o o 1 2 o o o 2 3 o o - 