data_[Li12Mn4Co4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0001]
_cell_length_b [14.4262]
_cell_length_c [5.0992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3MnCoO5]
_chemical_formula_sum '[Li12 Mn4 Co4 O20]'
_cell_volume [347.2167]
_cell_formula_units_Z [4]
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  2  0.0000  0.0979  0.5000  1
  Li  Li1  2  0.0000  0.3056  0.5000  1
  Li  Li2  2  0.0000  0.4015  0.0000  1
  Li  Li3  2  0.0000  0.4954  0.5000  1
  Li  Li4  2  0.0000  0.7002  0.5000  1
  Li  Li5  2  0.0000  0.9018  0.5000  1
  Mn  Mn6  2  0.0000  0.2021  0.0000  1
  Mn  Mn7  2  0.0000  0.9976  0.0000  1
  Co  Co8  2  0.0000  0.5991  0.0000  1
  Co  Co9  2  0.0000  0.8027  0.0000  1
  O  O10  4  0.2235  0.9031  0.2365  1
  O  O11  4  0.2375  0.2913  0.2310  1
  O  O12  4  0.2431  0.0989  0.2172  1
  O  O13  4  0.2479  0.0068  0.7799  1
  O  O14  4  0.2490  0.6980  0.2201  1
]