data_MnTl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   140.97
_cell_angle_beta   140.97
_cell_angle_gamma   56.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Cl
_chemical_formula_sum   'Mn1 Tl2 Cl1'
_cell_volume   106.83
_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  Mn1  1  0.16  0.0  0.85  1.0
  Tl  Tl2  1  0.0  0.0  0.71  1.0
  Tl  Tl3  1  0.0  0.16  0.85  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnTl2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.48
_cell_angle_alpha   109.51
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Cl
_chemical_formula_sum   'Mn1 Tl2 Cl1'
_cell_volume   106.83
_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  0.15  0.0  0.31  1.0
  Tl  Tl1  1  0.29  0.0  0.29  1.0
  Tl  Tl2  1  0.31  0.16  0.31  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mn Tl Tl Cl