data_[Na4Mn4Cu8I24]
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
  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 [14.8614]
_cell_length_b [13.7387]
_cell_length_c [7.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMn(CuI3)2]
_chemical_formula_sum '[Na4 Mn4 Cu8 I24]'
_cell_volume [1519.5032]
_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  0.0000  0.1231  0.2500  1
  Mn  Mn1  4  0.0000  0.1972  0.7500  1
  Cu  Cu2  8  0.1865  0.4358  0.2152  1
  I  I3  8  0.1164  0.2623  0.0658  1
  I  I4  8  0.1204  0.0757  0.6592  1
  I  I5  8  0.1406  0.4227  0.4975  1
]