data_[Sr2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.0274]
_cell_length_b [4.4118]
_cell_length_c [9.6852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrBr3]
_chemical_formula_sum '[Sr2 Br6]'
_cell_volume [329.0449]
_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  1  0.4897  0.0000  0.7499  1.0
  Sr  Sr1  1  0.6534  0.5000  0.2577  1.0
  Br  Br2  1  0.2203  0.5000  0.6018  1.0
  Br  Br3  1  0.4263  0.0000  0.0397  1.0
  Br  Br4  1  0.5431  0.0000  0.4568  1.0
  Br  Br5  1  0.7605  0.5000  0.8814  1.0
  Br  Br6  1  0.9113  0.0000  0.2726  1.0
  Br  Br7  1  0.9954  0.5000  0.7400  1.0
]