data_[Ho12Mn12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.8716]
_cell_length_b [5.6123]
_cell_length_c [12.5438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoMnO3]
_chemical_formula_sum '[Ho12 Mn12 O36]'
_cell_volume [765.3651]
_cell_formula_units_Z [12]
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
[
  Ho  Ho0  8  0.1668  0.4663  0.7869  1
  Ho  Ho1  4  0.0000  0.0275  0.3391  1
  Mn  Mn2  8  0.1793  0.1368  0.5217  1
  Mn  Mn3  4  0.0000  0.4005  0.0420  1
  O  O4  8  0.1507  0.1675  0.2475  1
  O  O5  8  0.1613  0.4558  0.5908  1
  O  O6  8  0.2037  0.1446  0.9242  1
  O  O7  4  0.0000  0.0188  0.0289  1
  O  O8  4  0.0000  0.2874  0.7496  1
  O  O9  4  0.0000  0.4126  0.4175  1
]