data_Li2MnTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.05
_cell_angle_alpha   98.51
_cell_angle_beta   98.51
_cell_angle_gamma   34.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnTl
_chemical_formula_sum   'Li2 Mn1 Tl1'
_cell_volume   74.23
_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
  Li  Li0  1  0.86  0.0  0.75  1.0
  Li  Li1  1  0.15  0.0  0.24  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.5  0.0  0.5  1.0

data_Li2MnTl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.04
_cell_length_b   5.05
_cell_length_c   5.13
_cell_angle_alpha   98.51
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2MnTl
_chemical_formula_sum   'Li2 Mn1 Tl1'
_cell_volume   74.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Li  Li0  2  0.0  0.25  0.14  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.5  0.5  1.0

Li Li Mn Tl