data_[Sr1Fe2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2845]
_cell_length_b [5.5472]
_cell_length_c [5.9580]
_cell_angle_alpha [70.2996]
_cell_angle_beta [65.9374]
_cell_angle_gamma [85.7509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrFe2(BO3)2]
_chemical_formula_sum '[Sr1 Fe2 B2 O6]'
_cell_volume [149.7345]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe1  2  0.3459  0.7920  0.4635  1.0
  B  B2  2  0.1197  0.2681  0.6681  1.0
  O  O3  2  0.1634  0.7566  0.2412  1.0
  O  O4  2  0.2587  0.4090  0.7420  1.0
  O  O5  2  0.2925  0.1570  0.4793  1.0
]