data_[Li8Mn4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0776]
_cell_length_b [16.1753]
_cell_length_c [12.7240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2MnI5]
_chemical_formula_sum '[Li8 Mn4 I20]'
_cell_volume [1250.8711]
_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  8  0.0000  0.1969  0.5599  1.0
  Mn  Mn1  4  0.0000  0.1985  0.2500  1.0
  I  I2  8  0.0000  0.0810  0.1031  1.0
  I  I3  8  0.0000  0.3198  0.0979  1.0
  I  I4  4  0.0000  0.2864  0.7500  1.0
]