data_[Na2Mn1Ag1I6]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5857]
_cell_length_b [7.9396]
_cell_length_c [7.9547]
_cell_angle_alpha [66.0608]
_cell_angle_beta [65.7332]
_cell_angle_gamma [63.3761]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2MnAgI6]
_chemical_formula_sum '[Na2 Mn1 Ag1 I6]'
_cell_volume [375.7389]
_cell_formula_units_Z [1]
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  1  0.4383  0.4780  0.5917  1.0
  Na  Na1  1  0.9953  0.0087  0.0214  1.0
  Mn  Mn2  1  0.6943  0.6318  0.0148  1.0
  Ag  Ag3  1  0.2371  0.2034  0.3964  1.0
  I  I4  1  0.3202  0.5843  0.2039  1.0
  I  I5  1  0.3978  0.0674  0.7036  1.0
  I  I6  1  0.5878  0.8699  0.2333  1.0
  I  I7  1  0.7650  0.4396  0.7716  1.0
  I  I8  1  0.9036  0.2843  0.2727  1.0
  I  I9  1  0.9989  0.7712  0.7755  1.0
]