data_MgTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.42
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Sn
_chemical_formula_sum   'Mg1 Tl2 Sn1'
_cell_volume   111.7
_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
  Mg  Mg0  1  0.0  0.0  0.87  1.0
  Tl  Tl2  1  0.0  0.0  0.34  1.0
  Tl  Tl3  1  0.7  0.21  0.99  1.0
  Sn  Sn1  1  0.7  0.21  0.34  1.0

data_MgTl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.42
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Sn
_chemical_formula_sum   'Mg1 Tl2 Sn1'
_cell_volume   111.7
_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
  Mg  Mg0  1  0.0  0.0  0.87  1.0
  Tl  Tl1  1  0.0  0.0  0.34  1.0
  Tl  Tl2  1  0.7  0.21  0.99  1.0
  Sn  Sn3  1  0.7  0.21  0.34  1.0

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