data_[Li2Ni2C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  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 [5.2061]
_cell_length_b [7.6531]
_cell_length_c [6.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiNi(CO3)2]
_chemical_formula_sum '[Li2 Ni2 C4 O12]'
_cell_volume [236.0294]
_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  0.3789  0.4421  0.4236  1.0
  Ni  Ni1  2  0.0069  0.5027  0.7586  1.0
  C  C2  2  0.1303  0.7389  0.1350  1.0
  C  C3  2  0.1436  0.7587  0.6242  1.0
  O  O4  2  0.0900  0.2472  0.3447  1.0
  O  O5  2  0.1125  0.2654  0.8569  1.0
  O  O6  2  0.2135  0.5911  0.0978  1.0
  O  O7  2  0.2318  0.8989  0.5722  1.0
  O  O8  2  0.2792  0.6104  0.6565  1.0
  O  O9  2  0.2834  0.8799  0.1784  1.0
]