data_[Sr1Se4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6336]
_cell_length_b [7.8152]
_cell_length_c [8.3831]
_cell_angle_alpha [80.6258]
_cell_angle_beta [67.7532]
_cell_angle_gamma [88.9861]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr(Se2Br3)2]
_chemical_formula_sum '[Sr1 Se4 Br6]'
_cell_volume [396.4258]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.0985  0.5318  0.6671  1.0
  Se  Se2  2  0.2214  0.6125  0.3201  1.0
  Br  Br3  2  0.0538  0.1646  0.2972  1.0
  Br  Br4  2  0.3327  0.7184  0.9832  1.0
  Br  Br5  2  0.3409  0.2398  0.6707  1.0
]