data_[Sr6Sb3Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7401]
_cell_length_b [4.7401]
_cell_length_c [24.1918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2SbBr]
_chemical_formula_sum '[Sr6 Sb3 Br3]'
_cell_volume [470.7303]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7362  1.0
  Sr  Sr1  3  0.0000  0.0000  0.9263  1.0
  Sb  Sb2  3  0.0000  0.0000  0.3319  1.0
  Br  Br3  3  0.0000  0.0000  0.5056  1.0
]