data_[Li8Mn10Cu2O24]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.9922]
_cell_length_b [8.9974]
_cell_length_c [10.1112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4Mn5CuO12]
_chemical_formula_sum '[Li8 Mn10 Cu2 O24]'
_cell_volume [454.0878]
_cell_formula_units_Z [2]
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  0.1305  0.7575  0.7572  1
  Li  Li1  4  0.1330  0.1112  0.7414  1
  Mn  Mn2  2  0.0000  0.2329  0.0000  1
  Mn  Mn3  2  0.0000  0.3020  0.5000  1
  Mn  Mn4  2  0.0000  0.5646  0.0000  1
  Mn  Mn5  2  0.0000  0.6327  0.5000  1
  Mn  Mn6  2  0.0000  0.8996  0.0000  1
  Cu  Cu7  2  0.0000  0.9642  0.5000  1
  O  O8  4  0.1648  0.4684  0.4022  1
  O  O9  4  0.1715  0.0814  0.1056  1
  O  O10  4  0.1768  0.1544  0.3920  1
  O  O11  4  0.1774  0.7781  0.3917  1
  O  O12  4  0.1787  0.7229  0.1061  1
  O  O13  4  0.1787  0.3941  0.0997  1
]