data_[Li2Mn2C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  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 [5.1384]
_cell_length_b [7.8182]
_cell_length_c [6.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiMn(CO3)2]
_chemical_formula_sum '[Li2 Mn2 C4 O12]'
_cell_volume [245.4515]
_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  0.3608  0.0593  0.8963  1.0
  Mn  Mn1  2  0.0091  0.9972  0.2672  1.0
  C  C2  2  0.1482  0.7632  0.6439  1.0
  C  C3  2  0.1544  0.7420  0.1271  1.0
  O  O4  2  0.0780  0.2504  0.8313  1.0
  O  O5  2  0.1006  0.2388  0.3486  1.0
  O  O6  2  0.2291  0.9098  0.6078  1.0
  O  O7  2  0.2438  0.6048  0.0775  1.0
  O  O8  2  0.2823  0.8900  0.1456  1.0
  O  O9  2  0.3017  0.6254  0.6800  1.0
]