data_MgTlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   150.11
_cell_angle_beta   130.32
_cell_angle_gamma   59.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlSn2
_chemical_formula_sum   'Mg1 Tl1 Sn2'
_cell_volume   108.03
_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  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.74  1.0
  Sn  Sn1  1  0.0  0.77  0.13  1.0
  Sn  Sn2  1  0.7  0.0  0.61  1.0

data_MgTlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.54
_cell_length_c   6.59
_cell_angle_alpha   114.84
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlSn2
_chemical_formula_sum   'Mg1 Tl1 Sn2'
_cell_volume   108.03
_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  0.0  1.0
  Tl  Tl1  1  0.26  0.26  0.26  1.0
  Sn  Sn2  1  0.09  0.39  0.09  1.0
  Sn  Sn3  1  0.87  0.64  0.64  1.0

Mg Tl Sn Sn