data_[Li3Mn2Co2O8]
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 [P1]
_cell_length_a [2.9137]
_cell_length_b [4.9912]
_cell_length_c [10.0613]
_cell_angle_alpha [91.1270]
_cell_angle_beta [91.3090]
_cell_angle_gamma [90.7087]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Mn2(CoO4)2]
_chemical_formula_sum '[Li3 Mn2 Co2 O8]'
_cell_volume [146.2408]
_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
[
  Li  Li0  1  0.0198  0.3304  0.2265  1
  Li  Li1  1  0.2448  0.9188  0.7317  1
  Li  Li2  1  0.5097  0.8308  0.2296  1
  Mn  Mn3  1  0.2410  0.2586  0.5024  1
  Mn  Mn4  1  0.5150  0.4911  0.9930  1
  Co  Co5  1  0.0051  0.9956  0.0056  1
  Co  Co6  1  0.7395  0.7562  0.4949  1
  O  O7  1  0.0317  0.3078  0.8998  1
  O  O8  1  0.2292  0.9250  0.3964  1
  O  O9  1  0.2457  0.6021  0.5941  1
  O  O10  1  0.4916  0.8418  0.9043  1
  O  O11  1  0.5174  0.1575  0.1129  1
  O  O12  1  0.7222  0.4216  0.3930  1
  O  O13  1  0.7533  0.0790  0.6040  1
  O  O14  1  0.9855  0.6667  0.1122  1
]