data_[Sr1Nb1B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  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 [5.0017]
_cell_length_b [5.0488]
_cell_length_c [6.2534]
_cell_angle_alpha [66.7520]
_cell_angle_beta [89.6990]
_cell_angle_gamma [61.1901]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrNb(BO3)2]
_chemical_formula_sum '[Sr1 Nb1 B2 O6]'
_cell_volume [123.7335]
_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  0.0000  0.0000  0.0000  1.0
  Nb  Nb1  1  0.5000  0.0000  0.5000  1.0
  B  B2  2  0.2354  0.5197  0.7139  1.0
  O  O3  2  0.0592  0.4296  0.2807  1.0
  O  O4  2  0.2958  0.7645  0.7115  1.0
  O  O5  2  0.4824  0.2209  0.7275  1.0
]