data_[Sr2Sc2B4O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  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 [5.1290]
_cell_length_b [6.3513]
_cell_length_c [7.3726]
_cell_angle_alpha [78.2561]
_cell_angle_beta [89.1835]
_cell_angle_gamma [75.6174]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2Sc2B4O11]
_chemical_formula_sum '[Sr2 Sc2 B4 O11]'
_cell_volume [227.6038]
_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  2  0.2228  0.1945  0.1633  1.0
  Sc  Sc1  2  0.1859  0.2819  0.6465  1.0
  B  B2  2  0.2791  0.7804  0.6065  1.0
  B  B3  2  0.3538  0.6559  0.1019  1.0
  O  O4  2  0.0907  0.6582  0.1329  1.0
  O  O5  2  0.1126  0.6443  0.5765  1.0
  O  O6  2  0.1740  0.9482  0.7027  1.0
  O  O7  2  0.4591  0.2553  0.4432  1.0
  O  O8  2  0.4924  0.7943  0.1529  1.0
  O  O9  1  0.5000  0.5000  0.0000  1.0
]