data_[Li9Ca3Cl12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.4410]
_cell_length_b [10.4410]
_cell_length_c [8.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Li3Ca(ClO3)4]
_chemical_formula_sum '[Li9 Ca3 Cl12 O36]'
_cell_volume [771.4788]
_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
[
  Li  Li0  9  0.0000  0.5633  0.0000  1
  Ca  Ca1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  9  0.0000  0.3945  0.5000  1
  Cl  Cl3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0536  0.2015  0.1851  1
  O  O5  9  0.0000  0.5404  0.5000  1
  O  O6  9  0.0000  0.8499  0.5000  1
]