data_[Ca3Nd6Sn3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8708]
_cell_length_b [5.8708]
_cell_length_c [14.9734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaNd2SnO6]
_chemical_formula_sum '[Ca3 Nd6 Sn3 O18]'
_cell_volume [446.9327]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.8085  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0337  1.0
  Nd  Nd2  3  0.0000  0.0000  0.5347  1.0
  Sn  Sn3  3  0.0000  0.0000  0.3157  1.0
  O  O4  9  0.0022  0.3871  0.5813  1.0
  O  O5  9  0.0230  0.7355  0.4084  1.0
]