data_[Li4Mn4Cu8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6192]
_cell_length_b [12.7361]
_cell_length_c [7.2845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMn(CuI3)2]
_chemical_formula_sum '[Li4 Mn4 Cu8 I24]'
_cell_volume [1241.3158]
_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  4  0.0000  0.0870  0.7500  1
  Mn  Mn1  4  0.0000  0.2574  0.2500  1
  Cu  Cu2  8  0.1794  0.4125  0.7986  1
  I  I3  8  0.1182  0.2480  0.6017  1
  I  I4  8  0.1216  0.0908  0.1322  1
  I  I5  8  0.1294  0.4110  0.1279  1
]