data_[Sr20Re12Cl4O60]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5236]
_cell_length_b [18.6829]
_cell_length_c [10.6922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr5Re3ClO15]
_chemical_formula_sum '[Sr20 Re12 Cl4 O60]'
_cell_volume [1502.9266]
_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  0.0003  0.5851  0.2535  1
  Sr  Sr1  8  0.2396  0.6101  0.8860  1
  Sr  Sr2  4  0.2217  0.2500  0.9896  1
  Re  Re3  8  0.2077  0.5573  0.5591  1
  Re  Re4  4  0.2206  0.7500  0.1464  1
  Cl  Cl5  4  0.1228  0.7500  0.7565  1
  O  O6  8  0.0385  0.6163  0.4888  1
  O  O7  8  0.0541  0.5515  0.6944  1
  O  O8  8  0.0771  0.6821  0.0707  1
  O  O9  8  0.1253  0.1168  0.1109  1
  O  O10  8  0.2257  0.5357  0.0998  1
  O  O11  8  0.2358  0.0311  0.8958  1
  O  O12  8  0.2494  0.1826  0.7739  1
  O  O13  4  0.0818  0.2500  0.5601  1
]