data_[Sr4Re12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnn2]
_cell_length_a [9.3339]
_cell_length_b [9.3713]
_cell_length_c [9.3035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [34]
_chemical_formula_structural [Sr(ReO3)3]
_chemical_formula_sum '[Sr4 Re12 O36]'
_cell_volume [813.7883]
_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  4  0.1794  0.1783  0.1766  1
  Re  Re1  4  0.0052  0.3603  0.5023  1
  Re  Re2  4  0.1376  0.9987  0.5024  1
  Re  Re3  2  0.0000  0.5000  0.1392  1
  Re  Re4  2  0.0000  0.5000  0.8632  1
  O  O5  4  0.0023  0.6378  0.7054  1
  O  O6  4  0.0046  0.3368  0.0018  1
  O  O7  4  0.0056  0.3606  0.2958  1
  O  O8  4  0.1376  0.2025  0.4938  1
  O  O9  4  0.1378  0.7938  0.5022  1
  O  O10  4  0.1616  0.5047  0.5074  1
  O  O11  4  0.2037  0.4954  0.1378  1
  O  O12  4  0.2054  0.5038  0.8601  1
  O  O13  2  0.0000  0.0000  0.3316  1
  O  O14  2  0.0000  0.0000  0.6614  1
]