data_[Sr1Cr2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  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 [5.3066]
_cell_length_b [5.6692]
_cell_length_c [5.9579]
_cell_angle_alpha [69.9932]
_cell_angle_beta [64.7394]
_cell_angle_gamma [87.6574]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCr2(BO3)2]
_chemical_formula_sum '[Sr1 Cr2 B2 O6]'
_cell_volume [151.1464]
_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
  Cr  Cr1  2  0.3905  0.8137  0.4184  1.0
  B  B2  2  0.1127  0.2541  0.6787  1.0
  O  O3  2  0.1698  0.7545  0.2345  1.0
  O  O4  2  0.2659  0.3697  0.7613  1.0
  O  O5  2  0.2833  0.1498  0.4839  1.0
]