data_KLi2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   135.24
_cell_angle_beta   135.24
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Mn
_chemical_formula_sum   'K1 Li2 Mn1'
_cell_volume   107.05
_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  0.0  0.0  0.08  1.0
  Li  Li1  1  0.0  0.3  0.54  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.3  0.0  0.54  1.0

data_KLi2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.03
_cell_angle_alpha   112.38
_cell_angle_beta   112.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Mn
_chemical_formula_sum   'K1 Li2 Mn1'
_cell_volume   107.05
_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  0.0  0.92  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.76  0.3  0.76  1.0
  Mn  Mn3  1  0.46  0.0  0.76  1.0

K Li Li Mn
K Li Li Mn 0 2 o o o 0 1 o o o 0 3 o o o 1 3 o o o 