data_MnTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Te
_chemical_formula_sum   'Mn1 Tl2 Te1'
_cell_volume   109.41
_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  0.0  0.0  0.37  1.0
  Tl  Tl2  1  0.0  0.0  0.09  1.0
  Tl  Tl3  1  0.83  0.83  0.33  1.0
  Te  Te1  1  0.83  0.83  0.56  1.0

data_MnTl2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTl2Te
_chemical_formula_sum   'Mn2 Tl4 Te2'
_cell_volume   218.82
_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
  Mn  Mn0  2  0.0  0.0  0.37  1.0
  Tl  Tl1  2  0.0  0.0  0.09  1.0
  Tl  Tl2  2  0.33  0.5  0.33  1.0
  Te  Te3  2  0.33  0.5  0.56  1.0

Mn Tl Tl Te
Mn Tl Tl Te 0 2 - - o 0 1 o o o 0 3 - - o 1 2 - - o 2 3 o o o 