data_[Li12Cr4C12O36]
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 [Ama2]
_cell_length_a [9.4898]
_cell_length_b [9.7099]
_cell_length_c [7.0877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Li3Cr(CO3)3]
_chemical_formula_sum '[Li12 Cr4 C12 O36]'
_cell_volume [653.0890]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0506  1
  Li  Li1  4  0.2500  0.0151  0.3799  1
  Li  Li2  4  0.2500  0.3149  0.5126  1
  Cr  Cr3  4  0.2500  0.2354  0.0457  1
  C  C4  8  0.0164  0.2167  0.3424  1
  C  C5  4  0.2500  0.0330  0.7359  1
  O  O6  8  0.0561  0.3256  0.4228  1
  O  O7  8  0.1027  0.1435  0.2338  1
  O  O8  8  0.1121  0.3308  0.8637  1
  O  O9  4  0.2500  0.0533  0.9211  1
  O  O10  4  0.2500  0.1291  0.6153  1
  O  O11  4  0.2500  0.4064  0.1846  1
]