data_[Ho8Hf8Mo28O112]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [21.1532]
_cell_length_b [9.9825]
_cell_length_c [14.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho2Hf2(MoO4)7]
_chemical_formula_sum '[Ho8 Hf8 Mo28 O112]'
_cell_volume [2741.5833]
_cell_formula_units_Z [4]
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  0.1352  0.0102  0.9322  1
  Hf  Hf1  8  0.1182  0.4679  0.1889  1
  Mo  Mo2  8  0.0600  0.1321  0.1468  1
  Mo  Mo3  8  0.1607  0.3836  0.4782  1
  Mo  Mo4  8  0.2438  0.2622  0.8299  1
  Mo  Mo5  4  0.0000  0.2901  0.7500  1
  O  O6  8  0.0222  0.0639  0.3843  1
  O  O7  8  0.0450  0.3947  0.6885  1
  O  O8  8  0.0500  0.3164  0.1321  1
  O  O9  8  0.0593  0.1893  0.8453  1
  O  O10  8  0.0993  0.0623  0.0657  1
  O  O11  8  0.1104  0.0918  0.2771  1
  O  O12  8  0.1167  0.4851  0.5438  1
  O  O13  8  0.1308  0.4308  0.3426  1
  O  O14  8  0.1455  0.2112  0.4923  1
  O  O15  8  0.1864  0.1422  0.8421  1
  O  O16  8  0.1935  0.3222  0.2100  1
  O  O17  8  0.1955  0.3872  0.7365  1
  O  O18  8  0.2147  0.1571  0.0508  1
  O  O19  8  0.2486  0.4170  0.5338  1
]