[CIF]
data_ScPb4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41124378
_cell_length_b   6.41124378
_cell_length_c   6.41124378
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPb4Br
_chemical_formula_sum   'Sc1 Pb4 Br1'
_cell_volume   186.34248106
_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
  Br  Br0  1  2.26671698  2.26671697  2.26671698  1
  Pb  Pb1  1  3.39341089  3.39341089  5.67345701  1
  Pb  Pb2  1  3.39341089  5.67345701  3.39341089  1
  Pb  Pb3  1  5.67345701  3.39341089  3.39341089  1
  Pb  Pb4  1  5.67345701  5.67345701  5.67345701  1
  Sc  Sc5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
