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 [P-1]
_cell_length_a [5.1006]
_cell_length_b [5.1525]
_cell_length_c [7.9247]
_cell_angle_alpha [72.8908]
_cell_angle_beta [75.2094]
_cell_angle_gamma [79.9353]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Mn5O10]
_chemical_formula_sum '[Li4 Mn5 O10]'
_cell_volume [191.3356]
_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  0.2075  0.9975  0.1010  1.0
  Li  Li1  2  0.3847  0.0008  0.6862  1.0
  Mn  Mn2  2  0.1007  0.5073  0.7988  1.0
  Mn  Mn3  2  0.2982  0.5051  0.3992  1.0
  Mn  Mn4  1  0.5000  0.5000  0.0000  1.0
  O  O5  2  0.0340  0.2808  0.6637  1.0
  O  O6  2  0.1754  0.7325  0.9374  1.0
  O  O7  2  0.2690  0.2988  0.2227  1.0
  O  O8  2  0.3785  0.7242  0.5437  1.0
  O  O9  2  0.4308  0.2708  0.8648  1.0
]