data_[Cs3Li12Ca9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.7092]
_cell_length_b [14.7092]
_cell_length_c [9.7314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsLi4Ca3Cl12]
_chemical_formula_sum '[Cs3 Li12 Ca9 Cl36]'
_cell_volume [1823.4175]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Li  Li1  9  0.0000  0.4350  0.5000  1
  Li  Li2  3  0.0000  0.0000  0.5000  1
  Ca  Ca3  9  0.0000  0.5615  0.0000  1
  Cl  Cl4  18  0.0545  0.2306  0.1742  1
  Cl  Cl5  9  0.0000  0.5946  0.5000  1
  Cl  Cl6  9  0.0000  0.8420  0.5000  1
]