data_[Li1Mn2O4]
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 [2.9687]
_cell_length_b [5.1449]
_cell_length_c [5.2112]
_cell_angle_alpha [108.6699]
_cell_angle_beta [90.3491]
_cell_angle_gamma [93.4445]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMn2O4]
_chemical_formula_sum '[Li1 Mn2 O4]'
_cell_volume [75.2429]
_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  0.5000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.0417  0.2377  0.7815  1.0
  O  O4  2  0.4772  0.7790  0.8002  1.0
]