data_[Sr28B16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3097]
_cell_length_b [19.0221]
_cell_length_c [8.2786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr7B4O13]
_chemical_formula_sum '[Sr28 B16 O52]'
_cell_volume [1308.5840]
_cell_formula_units_Z [4]
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  8  0.1043  0.1744  0.9692  1
  Sr  Sr1  8  0.2213  0.3216  0.6454  1
  Sr  Sr2  4  0.0000  0.0183  0.2500  1
  Sr  Sr3  4  0.0000  0.3264  0.2500  1
  Sr  Sr4  4  0.0000  0.4972  0.2500  1
  B  B5  8  0.0991  0.3818  0.9352  1
  B  B6  8  0.1829  0.1113  0.6482  1
  O  O7  8  0.0336  0.4148  0.5032  1
  O  O8  8  0.0989  0.0794  0.5244  1
  O  O9  8  0.1030  0.3069  0.9452  1
  O  O10  8  0.1930  0.1871  0.6470  1
  O  O11  8  0.2207  0.4144  0.8501  1
  O  O12  8  0.2413  0.0781  0.7824  1
  O  O13  4  0.0000  0.2011  0.2500  1
]