data_In2FePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   134.94
_cell_angle_beta   134.94
_cell_angle_gamma   65.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FePb
_chemical_formula_sum   'In2 Fe1 Pb1'
_cell_volume   94.01
_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
  In  In1  1  0.2  0.0  0.42  1.0
  In  In2  1  0.0  0.2  0.42  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.84  1.0

data_In2FePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   122.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FePb
_chemical_formula_sum   'In4 Fe2 Pb2'
_cell_volume   188.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  4  0.18  0.4  0.79  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.16  0.0  0.16  1.0

In In Fe Pb