data_[Hf3Mn3In6O18]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5082]
_cell_length_b [5.5082]
_cell_length_c [14.7302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HfMnIn2O6]
_chemical_formula_sum '[Hf3 Mn3 In6 O18]'
_cell_volume [387.0445]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3134  1.0
  Mn  Mn1  3  0.0000  0.0000  0.8074  1.0
  In  In2  3  0.0000  0.0000  0.0240  1.0
  In  In3  3  0.0000  0.0000  0.5242  1.0
  O  O4  9  0.0027  0.7120  0.4132  1.0
  O  O5  9  0.0155  0.3660  0.5844  1.0
]