data_[Li2Cr2C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.9572]
_cell_length_b [7.8248]
_cell_length_c [6.4387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiCr(CO3)2]
_chemical_formula_sum '[Li2 Cr2 C4 O12]'
_cell_volume [236.1915]
_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  2  0.1536  0.5485  0.6427  1.0
  Cr  Cr1  2  0.4995  0.0044  0.7585  1.0
  C  C2  2  0.3605  0.2471  0.4021  1.0
  C  C3  2  0.3685  0.2635  0.8932  1.0
  O  O4  2  0.2133  0.1279  0.8702  1.0
  O  O5  2  0.2254  0.3914  0.3862  1.0
  O  O6  2  0.2664  0.1073  0.4604  1.0
  O  O7  2  0.2861  0.4123  0.9403  1.0
  O  O8  2  0.3900  0.7442  0.1441  1.0
  O  O9  2  0.4071  0.7522  0.6510  1.0
]