data_AlAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAsPb
_chemical_formula_sum   'Al1 As1 Pb1'
_cell_volume   71.63
_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
  Al  Al0  1  0.0  0.0  0.82  1.0
  As  As1  1  0.0  0.59  0.53  1.0
  Pb  Pb2  1  0.24  0.3  0.75  1.0

data_AlAsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAsPb
_chemical_formula_sum   'Al1 As1 Pb1'
_cell_volume   71.63
_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
  Al  Al0  1  0.82  0.0  0.0  1.0
  As  As1  1  0.53  0.0  0.59  1.0
  Pb  Pb2  1  0.75  0.24  0.3  1.0

Al As Pb
Al As Pb 0 2 o o o 0 1 o - o 1 2 o o o 