data_[K4Li1Mn4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4488]
_cell_length_b [3.0190]
_cell_length_c [13.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K4LiMn4O8]
_chemical_formula_sum '[K4 Li1 Mn4 O8]'
_cell_volume [269.4592]
_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  0.0471  0.5000  0.6807  1.0
  K  K1  1  0.4106  0.5000  0.1550  1.0
  K  K2  1  0.5638  0.0000  0.8421  1.0
  K  K3  1  0.9335  0.0000  0.3239  1.0
  Li  Li4  1  0.1996  0.5000  0.4883  1.0
  Mn  Mn5  1  0.0597  0.0000  0.9139  1.0
  Mn  Mn6  1  0.4630  0.0000  0.3974  1.0
  Mn  Mn7  1  0.5657  0.5000  0.5886  1.0
  Mn  Mn8  1  0.9116  0.5000  0.0926  1.0
  O  O9  1  0.1108  0.0000  0.0720  1.0
  O  O10  1  0.2227  0.5000  0.8629  1.0
  O  O11  1  0.2764  0.5000  0.3524  1.0
  O  O12  1  0.3194  0.0000  0.5463  1.0
  O  O13  1  0.6589  0.5000  0.4271  1.0
  O  O14  1  0.7100  0.0000  0.6571  1.0
  O  O15  1  0.7483  0.0000  0.1435  1.0
  O  O16  1  0.8614  0.5000  0.9359  1.0
]