data_[Sr6Cu3Cl3O6]
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 [P3_121]
_cell_length_a [4.0374]
_cell_length_b [4.0374]
_cell_length_c [27.8085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [Sr2CuClO2]
_chemical_formula_sum '[Sr6 Cu3 Cl3 O6]'
_cell_volume [392.5673]
_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  6  0.0128  0.6726  0.4227  1.0
  Cu  Cu1  3  0.0000  0.6762  0.6667  1.0
  Cl  Cl2  3  0.0000  0.6517  0.1667  1.0
  O  O3  6  0.0064  0.6800  0.6012  1.0
]