data_MgTlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   144.97
_cell_angle_beta   144.97
_cell_angle_gamma   50.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlSn
_chemical_formula_sum   'Mg1 Tl1 Sn1'
_cell_volume   79.66
_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  0.23  1.0
  Tl  Tl2  1  0.0  0.0  0.48  1.0
  Sn  Sn1  1  0.0  0.0  0.88  1.0

data_MgTlSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   115.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTlSn
_chemical_formula_sum   'Mg2 Tl2 Sn2'
_cell_volume   159.32
_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
  Mg  Mg0  2  0.23  0.0  0.23  1.0
  Tl  Tl1  2  0.48  0.0  0.48  1.0
  Sn  Sn2  2  0.38  0.5  0.88  1.0

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