data_[Li4Hf2Mn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2270]
_cell_length_b [4.2270]
_cell_length_c [9.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Li2HfMnO4]
_chemical_formula_sum '[Li4 Hf2 Mn2 O8]'
_cell_volume [173.3402]
_cell_formula_units_Z [2]
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  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.7500  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Mn  Mn3  2  0.0000  0.5000  0.2500  1
  O  O4  4  0.0000  0.0000  0.2861  1
  O  O5  4  0.0000  0.5000  0.0041  1
]