data_[Li1Mn1C2O6]
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 [P-1]
_cell_length_a [4.5988]
_cell_length_b [4.7273]
_cell_length_c [5.7318]
_cell_angle_alpha [68.3667]
_cell_angle_beta [66.5947]
_cell_angle_gamma [61.8951]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMn(CO3)2]
_chemical_formula_sum '[Li1 Mn1 C2 O6]'
_cell_volume [98.3042]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mn  Mn1  1  0.5000  0.5000  0.5000  1
  C  C2  2  0.2326  0.2517  0.2660  1
  O  O3  2  0.0468  0.4819  0.7281  1
  O  O4  2  0.2454  0.9841  0.2509  1
  O  O5  2  0.4923  0.7314  0.7314  1
]