data_[Si1Sb2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3185]
_cell_length_b [4.9401]
_cell_length_c [5.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiSb2Br]
_chemical_formula_sum '[Si1 Sb2 Br1]'
_cell_volume [114.2340]
_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
[
  Si  Si0  1  0.5543  0.0000  0.4081  1
  Sb  Sb1  1  0.7453  0.5000  0.2858  1
  Sb  Sb2  1  0.9455  0.0000  0.0593  1
  Br  Br3  1  0.2549  0.5000  0.7468  1
]