data_Fe2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   141.28
_cell_angle_beta   141.28
_cell_angle_gamma   55.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PbBr
_chemical_formula_sum   'Fe2 Pb1 Br1'
_cell_volume   79.02
_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
  Fe  Fe1  1  0.0  0.95  0.6  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.95  0.0  0.6  1.0
  Br  Br0  1  0.0  0.0  0.2  1.0

data_Fe2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.88
_cell_angle_alpha   109.36
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PbBr
_chemical_formula_sum   'Fe2 Pb1 Br1'
_cell_volume   79.02
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.65  0.6  0.65  1.0
  Pb  Pb2  1  0.6  0.65  0.65  1.0
  Br  Br3  1  0.2  0.2  0.2  1.0

Fe Fe Pb Br
Fe Fe Pb Br 0 2 - + o 1 3 o o o 