data_[Si2Pb1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4462]
_cell_length_b [3.8160]
_cell_length_c [6.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Si2PbBr]
_chemical_formula_sum '[Si2 Pb1 Br1]'
_cell_volume [111.3841]
_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  0.2315  0.5000  0.8887  1
  Si  Si1  1  0.9246  0.0000  0.8671  1
  Pb  Pb2  1  0.8269  0.5000  0.1888  1
  Br  Br3  1  0.5170  0.0000  0.5555  1
]