data_[Li4Fe2C2S2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9788]
_cell_length_b [6.4388]
_cell_length_c [9.1575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2FeCSO7]
_chemical_formula_sum '[Li4 Fe2 C2 S2 O14]'
_cell_volume [291.2270]
_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
[
  Li  Li0  4  0.2878  0.0167  0.6745  1
  Fe  Fe1  2  0.2677  0.7500  0.1459  1
  C  C2  2  0.2271  0.7500  0.4278  1
  S  S3  2  0.2519  0.2500  0.0909  1
  O  O4  4  0.3532  0.0651  0.1797  1
  O  O5  2  0.0148  0.7500  0.3259  1
  O  O6  2  0.0504  0.7500  0.9311  1
  O  O7  2  0.2020  0.7500  0.5650  1
  O  O8  2  0.3501  0.2500  0.9455  1
  O  O9  2  0.4644  0.7500  0.3800  1
]