data_[Li2Mn2In2I8]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9102]
_cell_length_b [10.0870]
_cell_length_c [8.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiMnInI4]
_chemical_formula_sum '[Li2 Mn2 In2 I8]'
_cell_volume [610.6934]
_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  2  0.2812  0.7500  0.6943  1.0
  Mn  Mn1  2  0.2359  0.2500  0.2920  1.0
  In  In2  2  0.1222  0.7500  0.0763  1.0
  I  I3  4  0.0250  0.5457  0.7448  1.0
  I  I4  2  0.4075  0.2500  0.0455  1.0
  I  I5  2  0.4778  0.7500  0.4596  1.0
]