data_[Hf2Mn4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [11.7708]
_cell_length_b [3.3228]
_cell_length_c [5.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMn2O4]
_chemical_formula_sum '[Hf2 Mn4 O8]'
_cell_volume [197.4158]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.1508  0.5000  0.5586  1.0
  O  O2  4  0.0553  0.5000  0.8170  1.0
  O  O3  4  0.1570  0.0000  0.3212  1.0
]