data_[Li14Mn14O28]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8718]
_cell_length_b [32.4433]
_cell_length_c [5.8228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiMnO2]
_chemical_formula_sum '[Li14 Mn14 O28]'
_cell_volume [542.5107]
_cell_formula_units_Z [14]
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  0.0000  0.1417  0.6395  1
  Li  Li1  2  0.0000  0.2852  0.1185  1
  Li  Li2  2  0.0000  0.4283  0.1163  1
  Li  Li3  2  0.5000  0.0705  0.8735  1
  Li  Li4  2  0.5000  0.2117  0.8792  1
  Li  Li5  2  0.5000  0.3559  0.8775  1
  Li  Li6  1  0.0000  0.0000  0.1137  1
  Li  Li7  1  0.5000  0.5000  0.8759  1
  Mn  Mn8  2  0.0000  0.1408  0.1198  1
  Mn  Mn9  2  0.0000  0.2840  0.6357  1
  Mn  Mn10  2  0.0000  0.4279  0.6322  1
  Mn  Mn11  2  0.5000  0.0702  0.3747  1
  Mn  Mn12  2  0.5000  0.2120  0.3776  1
  Mn  Mn13  2  0.5000  0.3557  0.3624  1
  Mn  Mn14  1  0.0000  0.0000  0.6354  1
  Mn  Mn15  1  0.5000  0.5000  0.3605  1
  O  O16  2  0.0000  0.0697  0.1441  1
  O  O17  2  0.0000  0.0709  0.6047  1
  O  O18  2  0.0000  0.2117  0.6078  1
  O  O19  2  0.0000  0.2123  0.1475  1
  O  O20  2  0.0000  0.3554  0.1381  1
  O  O21  2  0.0000  0.3561  0.5982  1
  O  O22  2  0.5000  0.1408  0.8963  1
  O  O23  2  0.5000  0.1410  0.3565  1
  O  O24  2  0.5000  0.2840  0.3999  1
  O  O25  2  0.5000  0.2842  0.8596  1
  O  O26  2  0.5000  0.4279  0.3962  1
  O  O27  2  0.5000  0.4280  0.8566  1
  O  O28  1  0.0000  0.5000  0.1363  1
  O  O29  1  0.0000  0.5000  0.5962  1
  O  O30  1  0.5000  0.0000  0.3986  1
  O  O31  1  0.5000  0.0000  0.8586  1
]