data_[Li8Mn4Cu4O16]
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 [Cm]
_cell_length_a [9.3095]
_cell_length_b [4.1337]
_cell_length_c [8.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2MnCuO4]
_chemical_formula_sum '[Li8 Mn4 Cu4 O16]'
_cell_volume [286.4787]
_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  2  0.2508  0.0000  0.3762  1.0
  Li  Li1  2  0.2514  0.0000  0.8748  1.0
  Li  Li2  2  0.4990  0.0000  0.2517  1.0
  Li  Li3  2  0.4999  0.0000  0.7478  1.0
  Mn  Mn4  2  0.0017  0.0000  0.0009  1.0
  Mn  Mn5  2  0.4988  0.5000  0.4996  1.0
  Cu  Cu6  2  0.2496  0.5000  0.6236  1.0
  Cu  Cu7  2  0.2505  0.5000  0.1266  1.0
  O  O8  2  0.0150  0.5000  0.5080  1.0
  O  O9  2  0.0160  0.5000  0.0073  1.0
  O  O10  2  0.2309  0.0000  0.6152  1.0
  O  O11  2  0.2324  0.0000  0.1164  1.0
  O  O12  2  0.2661  0.5000  0.3837  1.0
  O  O13  2  0.2714  0.5000  0.8849  1.0
  O  O14  2  0.4831  0.5000  0.2560  1.0
  O  O15  2  0.4834  0.5000  0.7272  1.0
]