data_MgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.69
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl
_chemical_formula_sum   'Mg2 Tl2'
_cell_volume   102.94
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.0  0.0  0.11  1.0
  Mg  Mg1  1  0.73  0.85  0.13  1.0
  Tl  Tl2  1  0.73  0.0  0.5  1.0
  Tl  Tl3  1  0.0  0.85  0.74  1.0

data_MgTl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.45
_cell_length_b   5.24
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgTl
_chemical_formula_sum   'Mg2 Tl2'
_cell_volume   102.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mg  Mg0  2  0.14  0.49  0.08  1.0
  Tl  Tl1  2  0.14  0.12  0.92  1.0

Mg Mg Tl Tl