data_[Ca3Sm6Sn3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8219]
_cell_length_b [5.8219]
_cell_length_c [15.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaSm2SnO6]
_chemical_formula_sum '[Ca3 Sm6 Sn3 O18]'
_cell_volume [441.9665]
_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  0.1927  1.0
  Sm  Sm1  3  0.0000  0.0000  0.4685  1.0
  Sm  Sm2  3  0.0000  0.0000  0.9705  1.0
  Sn  Sn3  3  0.0000  0.0000  0.6840  1.0
  O  O4  9  0.0473  0.3373  0.7506  1.0
  O  O5  9  0.0625  0.6798  0.2570  1.0
]