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 [P2_1/m]
_cell_length_a [5.7715]
_cell_length_b [4.5693]
_cell_length_c [11.0165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrBr3]
_chemical_formula_sum '[Sr2 Br6]'
_cell_volume [284.6413]
_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  0.3123  0.7500  0.6623  1
  Br  Br1  2  0.1212  0.2500  0.8194  1
  Br  Br2  2  0.2346  0.2500  0.4600  1
  Br  Br3  2  0.3758  0.7500  0.1807  1
]