data_[Li6Mn4Cu2O12]
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 [14.8261]
_cell_length_b [2.8256]
_cell_length_c [5.7071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn2CuO6]
_chemical_formula_sum '[Li6 Mn4 Cu2 O12]'
_cell_volume [235.1028]
_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  0.1787  0.5000  0.3420  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.1662  0.5000  0.8298  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.0127  0.5000  0.7286  1.0
  O  O5  4  0.1641  0.0000  0.0638  1.0
  O  O6  4  0.1785  0.0000  0.6062  1.0
]