data_[Zr16In4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1397]
_cell_length_b [5.6505]
_cell_length_c [6.1580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4InO]
_chemical_formula_sum '[Zr16 In4 O4]'
_cell_volume [472.9316]
_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
[
  Zr  Zr0  8  0.0995  0.4164  0.9507  1.0
  Zr  Zr1  8  0.1975  0.0859  0.6508  1.0
  In  In2  4  0.0000  0.0883  0.2500  1.0
  O  O3  4  0.2500  0.2500  0.0000  1.0
]