data_Sr2Sc2B4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   6.29
_cell_length_c   7.24
_cell_angle_alpha   77.52
_cell_angle_beta   89.46
_cell_angle_gamma   75.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Sc2B4O11
_chemical_formula_sum   'Sr2 Sc2 B4 O11'
_cell_volume   218.34
_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  Sr17  1  0.81  0.48  0.16  1.0
  Sr  Sr18  1  0.95  0.2  0.91  1.0
  Sc  Sc15  1  0.79  0.79  0.58  1.0
  Sc  Sc16  1  0.97  0.89  0.48  1.0
  B  B0  1  0.45  0.67  0.3  1.0
  B  B1  1  0.59  0.12  0.71  1.0
  B  B2  1  0.17  0.56  0.36  1.0
  B  B3  1  0.3  0.01  0.76  1.0
  O  O4  1  0.25  0.17  0.93  1.0
  O  O5  1  0.38  0.8  0.09  1.0
  O  O6  1  0.2  0.84  0.0  1.0
  O  O7  1  0.12  0.31  0.13  1.0
  O  O8  1  0.51  0.05  0.07  1.0
  O  O9  1  0.0  0.0  0.0  1.0
  O  O10  1  0.24  0.63  1.0  1.0
  O  O11  1  0.64  0.37  0.93  1.0
  O  O12  1  0.56  0.83  0.06  1.0
  O  O13  1  0.37  0.88  0.98  1.0
  O  O14  1  0.51  0.5  0.14  1.0

data_Sr2Sc2B4O11
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   6.29
_cell_length_c   7.24
_cell_angle_alpha   77.52
_cell_angle_beta   89.46
_cell_angle_gamma   75.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Sc2B4O11
_chemical_formula_sum   'Sr2 Sc2 B4 O11'
_cell_volume   218.34
_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  0.81  0.48  0.16  1.0
  Sr  Sr1  1  0.95  0.2  0.91  1.0
  Sc  Sc2  1  0.79  0.79  0.58  1.0
  Sc  Sc3  1  0.97  0.89  0.48  1.0
  B  B4  1  0.17  0.56  0.36  1.0
  B  B5  1  0.3  0.01  0.76  1.0
  B  B6  1  0.45  0.67  0.3  1.0
  B  B7  1  0.59  0.12  0.71  1.0
  O  O8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.12  0.31  0.13  1.0
  O  O10  1  0.2  0.84  0.0  1.0
  O  O11  1  0.24  0.63  1.0  1.0
  O  O12  1  0.25  0.17  0.93  1.0
  O  O13  1  0.37  0.88  0.98  1.0
  O  O14  1  0.38  0.8  0.09  1.0
  O  O15  1  0.51  0.5  0.14  1.0
  O  O16  1  0.51  0.05  0.07  1.0
  O  O17  1  0.56  0.83  0.06  1.0
  O  O18  1  0.64  0.37  0.93  1.0

Sr Sr Sc Sc B B B B O O O O O O O O O O O