data_K2MnTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnTl
_chemical_formula_sum   'K2 Mn1 Tl1'
_cell_volume   143.41
_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
  K  K0  1  0.7  0.74  0.92  1.0
  K  K1  1  0.7  0.26  0.92  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.4  0.0  0.0  1.0

data_K2MnTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   116.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnTl
_chemical_formula_sum   'K2 Mn1 Tl1'
_cell_volume   143.41
_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
  K  K0  1  0.92  0.7  0.26  1.0
  K  K1  1  0.92  0.7  0.74  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.4  0.0  1.0

K K Mn Tl
K K Mn Tl 0 2 + + + 1 3 o o + 