data_[Li6Mn2Cu4O12]
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/m]
_cell_length_a [13.0719]
_cell_length_b [2.8833]
_cell_length_c [5.8567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn(CuO3)2]
_chemical_formula_sum '[Li6 Mn2 Cu4 O12]'
_cell_volume [215.5817]
_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  0.1699  0.0000  0.8328  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  Cu  Cu3  4  0.1708  0.0000  0.3421  1
  O  O4  4  0.0071  0.0000  0.7823  1
  O  O5  4  0.1539  0.5000  0.0918  1
  O  O6  4  0.1654  0.5000  0.5722  1
]