data_[Li3Mn5O10]
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 [P-1]
_cell_length_a [5.1653]
_cell_length_b [5.2524]
_cell_length_c [7.6654]
_cell_angle_alpha [70.9741]
_cell_angle_beta [71.1068]
_cell_angle_gamma [79.2843]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Mn5O10]
_chemical_formula_sum '[Li3 Mn5 O10]'
_cell_volume [185.2575]
_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  2  0.4978  0.2209  0.5730  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.0027  0.8903  0.6963  1.0
  Mn  Mn3  2  0.0216  0.6917  0.1017  1.0
  Mn  Mn4  1  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.1910  0.5486  0.6655  1.0
  O  O6  2  0.2203  0.1066  0.4669  1.0
  O  O7  2  0.2233  0.9330  0.8541  1.0
  O  O8  2  0.2246  0.3122  0.0509  1.0
  O  O9  2  0.2406  0.7924  0.2345  1.0
]