data_[Al2As4Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.7628]
_cell_length_b [6.6401]
_cell_length_c [18.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al2As4Pb3]
_chemical_formula_sum '[Al2 As4 Pb3]'
_cell_volume [961.9122]
_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  0.0018  0.0000  0.4441  1
  Al  Al1  1  0.0860  0.5000  0.4707  1
  As  As2  2  0.2554  0.2179  0.5250  1
  As  As3  1  0.7086  0.0000  0.4901  1
  As  As4  1  0.7717  0.5000  0.4712  1
  Pb  Pb5  2  0.8921  0.2479  0.5900  1
  Pb  Pb6  1  0.3296  0.0000  0.3938  1
]