data_[Sr3Gd3B6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Gd  1.2000  1.8000  1.0750
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1898]
_cell_length_b [5.1898]
_cell_length_c [17.9644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrGd(BO3)2]
_chemical_formula_sum '[Sr3 Gd3 B6 O18]'
_cell_volume [419.0345]
_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  3  0.0000  0.0000  0.0000  1.0
  Gd  Gd1  3  -0.0000  0.0000  0.5000  1.0
  B  B2  6  0.0000  0.0000  0.2447  1.0
  O  O3  18  0.0254  0.2771  0.2449  1.0
]