data_[Ca3Tm6Sn3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6654]
_cell_length_b [5.6654]
_cell_length_c [15.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaTm2SnO6]
_chemical_formula_sum '[Ca3 Tm6 Sn3 O18]'
_cell_volume [418.0581]
_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  0.1970  1
  Tm  Tm1  3  0.0000  0.0000  0.4754  1
  Tm  Tm2  3  0.0000  0.0000  0.9794  1
  Sn  Sn3  3  0.0000  0.0000  0.6836  1
  O  O4  9  0.0159  0.7271  0.5869  1
  O  O5  9  0.0298  0.3430  0.7474  1
]