data_MnTlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.16
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlSn2
_chemical_formula_sum   'Mn1 Tl1 Sn2'
_cell_volume   100.82
_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
  Mn  Mn0  1  0.02  0.0  0.88  1.0
  Tl  Tl3  1  0.5  0.08  0.62  1.0
  Sn  Sn1  1  0.71  0.08  0.7  1.0
  Sn  Sn2  1  0.11  0.0  0.64  1.0

data_MnTlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.16
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlSn2
_chemical_formula_sum   'Mn1 Tl1 Sn2'
_cell_volume   100.82
_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
  Mn  Mn0  1  0.02  0.0  0.88  1.0
  Tl  Tl1  1  0.5  0.08  0.62  1.0
  Sn  Sn2  1  0.11  0.0  0.64  1.0
  Sn  Sn3  1  0.71  0.08  0.7  1.0

Mn Tl Sn Sn
Mn Tl Sn Sn 0 2 - o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 + o o 