data_MnTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Te
_chemical_formula_sum   'Mn1 Tl2 Te1'
_cell_volume   110.01
_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  0.0  1.0
  Tl  Tl2  1  0.64  0.48  0.67  1.0
  Tl  Tl3  1  0.64  0.52  0.67  1.0
  Te  Te1  1  0.27  0.0  0.0  1.0

data_MnTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   113.97
_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   110.01
_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  0.0  1.0
  Tl  Tl1  1  0.67  0.64  0.48  1.0
  Tl  Tl2  1  0.67  0.64  0.52  1.0
  Te  Te3  1  0.0  0.27  0.0  1.0

Mn Tl Tl Te