data_[Na6Fe2As2C2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3020]
_cell_length_b [6.8633]
_cell_length_c [9.2217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na3FeAsCO7]
_chemical_formula_sum '[Na6 Fe2 As2 C2 O14]'
_cell_volume [335.5087]
_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
[
  Na  Na0  4  0.2492  0.0023  0.2436  1
  Na  Na1  2  0.2390  0.7500  0.5802  1
  Fe  Fe2  2  0.2177  0.2500  0.8453  1
  As  As3  2  0.3005  0.7500  0.9154  1
  C  C4  2  0.2729  0.2500  0.5569  1
  O  O5  4  0.2178  0.5529  0.8074  1
  O  O6  2  0.0521  0.2500  0.6173  1
  O  O7  2  0.1624  0.7500  0.0817  1
  O  O8  2  0.2903  0.2500  0.4169  1
  O  O9  2  0.3751  0.2500  0.0601  1
  O  O10  2  0.4755  0.2500  0.6395  1
]