data_[K3Ca3Sn6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7699]
_cell_length_b [7.7699]
_cell_length_c [18.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KCa(SnCl3)2]
_chemical_formula_sum '[K3 Ca3 Sn6 Cl18]'
_cell_volume [970.0566]
_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
[
  K  K0  3  0.0000  0.0000  0.5071  1
  Ca  Ca1  3  0.0000  0.0000  0.9870  1
  Sn  Sn2  3  0.0000  0.0000  0.2021  1
  Sn  Sn3  3  0.0000  0.0000  0.7606  1
  Cl  Cl4  9  0.0009  0.2708  0.0927  1
  Cl  Cl5  9  0.0047  0.6807  0.9291  1
]