data_[Sr2Al4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7404]
_cell_length_b [10.1647]
_cell_length_c [6.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(AlBr4)2]
_chemical_formula_sum '[Sr2 Al4 Br16]'
_cell_volume [936.2480]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.2007  0.0000  0.6667  1
  Br  Br2  8  0.1132  0.1835  0.7559  1
  Br  Br3  4  0.1377  0.5000  0.1794  1
  Br  Br4  4  0.1938  0.0000  0.3192  1
]