data_MnTl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   8.83
_cell_angle_alpha   107.16
_cell_angle_beta   107.16
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl5
_chemical_formula_sum   'Mn1 Tl5'
_cell_volume   160.78
_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  0.06  0.0  0.02  1.0
  Tl  Tl1  1  0.61  0.0  0.39  1.0
  Tl  Tl2  1  0.01  0.0  0.07  1.0
  Tl  Tl3  1  0.67  0.0  0.73  1.0
  Tl  Tl4  1  0.11  0.0  0.56  1.0
  Tl  Tl5  1  0.69  0.0  0.42  1.0

data_MnTl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.05
_cell_length_c   8.83
_cell_angle_alpha   107.16
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl5
_chemical_formula_sum   'Mn1 Tl5'
_cell_volume   160.78
_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  0.94  0.98  1.0
  Tl  Tl1  1  0.0  0.31  0.58  1.0
  Tl  Tl2  1  0.0  0.33  0.27  1.0
  Tl  Tl3  1  0.0  0.39  0.61  1.0
  Tl  Tl4  1  0.0  0.89  0.44  1.0
  Tl  Tl5  1  0.0  0.99  0.93  1.0

Mn Tl Tl Tl Tl Tl