data_[Li12Mn4Co12O32]
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 [10.3342]
_cell_length_b [5.7221]
_cell_length_c [10.2246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3MnCo3O8]
_chemical_formula_sum '[Li12 Mn4 Co12 O32]'
_cell_volume [568.7684]
_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  4  0.2485  0.7522  0.9982  1
  Li  Li1  4  0.2488  0.2513  0.5015  1
  Li  Li2  4  0.2496  0.0013  0.7566  1
  Mn  Mn3  2  0.0000  0.0052  0.0000  1
  Mn  Mn4  2  0.0000  0.4989  0.5000  1
  Co  Co5  8  0.0003  0.2517  0.7510  1
  Co  Co6  2  0.0000  0.5045  0.0000  1
  Co  Co7  2  0.0000  0.9989  0.5000  1
  O  O8  8  0.1059  0.7559  0.6097  1
  O  O9  8  0.1080  0.2595  0.1097  1
  O  O10  4  0.1058  0.0013  0.3808  1
  O  O11  4  0.1065  0.5102  0.8767  1
  O  O12  4  0.1087  0.4977  0.3789  1
  O  O13  4  0.1130  0.0015  0.8797  1
]