data_[Al1Tc1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6657]
_cell_length_b [3.4844]
_cell_length_c [5.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AlTcPb2]
_chemical_formula_sum '[Al1 Tc1 Pb2]'
_cell_volume [86.2588]
_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
  Tc  Tc1  1  0.0000  0.5000  0.5000  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  1  0.5000  0.0000  0.5000  1
]