data_[Li4Mn5O10]
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 [P1]
_cell_length_a [5.1938]
_cell_length_b [5.2362]
_cell_length_c [7.9875]
_cell_angle_alpha [71.8601]
_cell_angle_beta [89.2921]
_cell_angle_gamma [86.5302]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn5O10]
_chemical_formula_sum '[Li4 Mn5 O10]'
_cell_volume [206.0470]
_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  0.4350  0.8742  0.7970  1.0
  Li  Li1  1  0.5732  0.3097  0.7915  1.0
  Li  Li2  1  0.5748  0.0767  0.1994  1.0
  Li  Li3  1  0.5822  0.4747  0.4108  1.0
  Mn  Mn4  1  0.0003  0.0053  0.9947  1.0
  Mn  Mn5  1  0.0159  0.1996  0.6014  1.0
  Mn  Mn6  1  0.0195  0.4089  0.1989  1.0
  Mn  Mn7  1  0.0261  0.8019  0.4049  1.0
  Mn  Mn8  1  0.9901  0.5915  0.8011  1.0
  O  O9  1  0.1818  0.6641  0.9897  1.0
  O  O10  1  0.1931  0.8541  0.6098  1.0
  O  O11  1  0.2072  0.0838  0.1811  1.0
  O  O12  1  0.2171  0.4525  0.4249  1.0
  O  O13  1  0.2300  0.2282  0.7827  1.0
  O  O14  1  0.7893  0.3299  0.9849  1.0
  O  O15  1  0.7917  0.9782  0.7896  1.0
  O  O16  1  0.8021  0.5115  0.6134  1.0
  O  O17  1  0.8090  0.7289  0.2306  1.0
  O  O18  1  0.8210  0.1596  0.3935  1.0
]