data_[Sr4Cu2Se6O18]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1526]
_cell_length_b [7.6688]
_cell_length_c [8.5980]
_cell_angle_alpha [102.4957]
_cell_angle_beta [104.9890]
_cell_angle_gamma [96.2254]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2Cu(SeO3)3]
_chemical_formula_sum '[Sr4 Cu2 Se6 O18]'
_cell_volume [437.9652]
_cell_formula_units_Z [2]
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  2  0.2428  0.0888  0.3955  1
  Sr  Sr1  2  0.3797  0.5128  0.1918  1
  Cu  Cu2  2  0.0884  0.3378  0.7517  1
  Se  Se3  2  0.1044  0.8039  0.9651  1
  Se  Se4  2  0.2197  0.6332  0.5900  1
  Se  Se5  2  0.3727  0.0745  0.8011  1
  O  O6  2  0.0599  0.8210  0.1559  1
  O  O7  2  0.1252  0.2474  0.1717  1
  O  O8  2  0.1540  0.9935  0.6467  1
  O  O9  2  0.1656  0.6207  0.3785  1
  O  O10  2  0.1967  0.6061  0.9361  1
  O  O11  2  0.2313  0.4038  0.5926  1
  O  O12  2  0.3412  0.2942  0.8909  1
  O  O13  2  0.4668  0.7157  0.6567  1
  O  O14  2  0.4797  0.8702  0.3169  1
]