data_[Sr12B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [6.8640]
_cell_length_b [6.8640]
_cell_length_c [10.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr3BO5]
_chemical_formula_sum '[Sr12 B4 O20]'
_cell_volume [487.0145]
_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  8  0.1811  0.3189  0.0000  1.0
  Sr  Sr1  4  0.0000  0.0000  0.2500  1.0
  B  B2  4  0.0000  0.5000  0.2500  1.0
  O  O3  16  0.1221  0.3779  0.3378  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
]