data_[Zr3Ni6Sn3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2924]
_cell_length_b [5.2924]
_cell_length_c [14.3416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ZrNi2SnO6]
_chemical_formula_sum '[Zr3 Ni6 Sn3 O18]'
_cell_volume [347.8787]
_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
[
  Zr  Zr0  3  0.0000  0.0000  0.8112  1.0
  Ni  Ni1  3  0.0000  0.0000  0.0168  1.0
  Ni  Ni2  3  0.0000  0.0000  0.5208  1.0
  Sn  Sn3  3  0.0000  0.0000  0.3149  1.0
  O  O4  9  0.0030  0.3054  0.9171  1.0
  O  O5  9  0.0328  0.6681  0.0821  1.0
]