data_[Al1Ni2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0651]
_cell_length_b [3.0557]
_cell_length_c [6.7989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AlNi2Pb]
_chemical_formula_sum '[Al1 Ni2 Pb1]'
_cell_volume [62.9912]
_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  0.5000  0.5000  0.0000  1
  Ni  Ni1  2  0.0678  0.0000  0.1897  1
  Pb  Pb2  1  0.5000  0.5000  0.5000  1
]