data_[Li4Mn2I16]
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 [C2/m]
_cell_length_a [11.6695]
_cell_length_b [12.8753]
_cell_length_c [6.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2MnI8]
_chemical_formula_sum '[Li4 Mn2 I16]'
_cell_volume [964.5691]
_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  0.2066  0.5000  0.9861  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.1345  0.1492  0.8529  1
  I  I3  4  0.0055  0.5000  0.2529  1
  I  I4  4  0.1394  0.0000  0.3489  1
]