data_MnTl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Sb
_chemical_formula_sum   'Mn1 Tl2 Sb1'
_cell_volume   105.89
_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  0.56  0.46  0.67  1.0
  Tl  Tl3  1  0.56  0.54  0.67  1.0
  Sb  Sb1  1  0.12  0.0  0.0  1.0

data_MnTl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   116.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Sb
_chemical_formula_sum   'Mn1 Tl2 Sb1'
_cell_volume   105.89
_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  0.56  0.46  1.0
  Tl  Tl2  1  0.67  0.56  0.54  1.0
  Sb  Sb3  1  -0.0  0.12  0.0  1.0

Mn Tl Tl Sb
Mn Tl Tl Sb 0 3 o o o 1 2 o o o 