data_FeAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   3.18
_cell_angle_alpha   98.34
_cell_angle_beta   98.34
_cell_angle_gamma   118.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs2Pb
_chemical_formula_sum   'Fe1 As2 Pb1'
_cell_volume   82.7
_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  Fe2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.97  0.61  0.52  1.0
  As  As1  1  0.97  0.39  0.52  1.0
  Pb  Pb3  1  0.84  0.0  0.0  1.0

data_FeAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   118.59
_cell_angle_beta   98.34
_cell_angle_gamma   98.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAs2Pb
_chemical_formula_sum   'Fe1 As2 Pb1'
_cell_volume   82.7
_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
  As  As1  1  0.52  0.97  0.39  1.0
  As  As2  1  0.52  0.97  0.61  1.0
  Pb  Pb3  1  0.0  0.84  0.0  1.0

Fe As As Pb