data_[Sr6Cu3Cl3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4589]
_cell_length_b [5.4589]
_cell_length_c [13.3271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sr2CuClO6]
_chemical_formula_sum '[Sr6 Cu3 Cl3 O18]'
_cell_volume [343.9340]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.2463  1
  Sr  Sr1  3  0.0000  0.0000  0.7474  1
  Cu  Cu2  3  0.0000  0.0000  0.4894  1
  Cl  Cl3  3  0.0000  0.0000  0.9926  1
  O  O4  9  0.0099  0.5242  0.7493  1
  O  O5  9  0.1683  0.3663  0.5908  1
]