data_SrMg2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Tl
_chemical_formula_sum   'Sr1 Mg2 Tl1'
_cell_volume   116.98
_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  Sr2  1  0.0  0.0  0.04  1.0
  Mg  Mg0  1  0.0  0.0  0.96  1.0
  Mg  Mg1  1  0.92  0.92  0.6  1.0
  Tl  Tl3  1  0.92  0.92  0.32  1.0

data_SrMg2Tl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMg2Tl
_chemical_formula_sum   'Sr2 Mg4 Tl2'
_cell_volume   233.96
_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  0.04  1.0
  Mg  Mg1  2  0.0  0.0  0.96  1.0
  Mg  Mg2  2  0.42  0.5  0.6  1.0
  Tl  Tl3  2  0.42  0.5  0.32  1.0

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