data_[Na1Cr2I1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0926]
_cell_length_b [5.6124]
_cell_length_c [8.0813]
_cell_angle_alpha [100.6040]
_cell_angle_beta [90.0768]
_cell_angle_gamma [112.7340]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCr2IO8]
_chemical_formula_sum '[Na1 Cr2 I1 O8]'
_cell_volume [208.7226]
_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  0.0000  0.0000  0.5000  1
  Cr  Cr1  2  0.3843  0.6903  0.7362  1
  I  I2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.2227  0.7515  0.9163  1
  O  O4  2  0.2462  0.1156  0.2342  1
  O  O5  2  0.2582  0.7651  0.5794  1
  O  O6  2  0.3274  0.3801  0.6946  1
]