data_[Na4Mn4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [21.4682]
_cell_length_b [6.0051]
_cell_length_c [8.5518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMnI4]
_chemical_formula_sum '[Na4 Mn4 I16]'
_cell_volume [1053.5566]
_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
[
  Na  Na0  4  0.2439  0.5000  0.7352  1.0
  Mn  Mn1  4  0.0909  0.0000  0.6696  1.0
  I  I2  4  0.0381  0.0000  0.3386  1.0
  I  I3  4  0.0952  0.5000  0.6725  1.0
  I  I4  4  0.1215  0.0000  0.9942  1.0
  I  I5  4  0.2141  0.0000  0.6337  1.0
]