data_SbPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   143.92
_cell_angle_beta   127.64
_cell_angle_gamma   65.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbBr
_chemical_formula_sum   'Sb1 Pb1 Br1'
_cell_volume   90.49
_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
  Sb  Sb2  1  0.0  0.0  0.98  1.0
  Pb  Pb1  1  0.0  0.0  0.71  1.0
  Br  Br0  1  0.0  0.0  0.1  1.0

data_SbPbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.13
_cell_length_c   5.81
_cell_angle_alpha   116.18
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbBr
_chemical_formula_sum   'Sb1 Pb1 Br1'
_cell_volume   90.49
_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
  Sb  Sb0  1  0.02  0.02  0.02  1.0
  Pb  Pb1  1  0.29  0.29  0.29  1.0
  Br  Br2  1  0.9  0.9  0.9  1.0

Sb Pb Br