data_[Sr4Cu8B8O24]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0157]
_cell_length_b [9.0157]
_cell_length_c [6.5536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [SrCu2(BO3)2]
_chemical_formula_sum '[Sr4 Cu8 B8 O24]'
_cell_volume [532.6948]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.2500  1
  Cu  Cu1  8  0.1161  0.3839  0.5000  1
  B  B2  8  0.2028  0.2972  0.0000  1
  O  O3  16  0.1472  0.1702  0.5000  1
  O  O4  8  0.0958  0.4042  0.0000  1
]