data_[Al4Tl6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.8872]
_cell_length_b [3.4597]
_cell_length_c [15.4345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Al2Tl3P]
_chemical_formula_sum '[Al4 Tl6 P2]'
_cell_volume [1008.5586]
_cell_formula_units_Z [2]
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  4  0.0735  0.2728  0.9873  1
  Tl  Tl1  4  0.1029  0.1933  0.1853  1
  Tl  Tl2  2  0.0000  0.2995  0.8226  1
  P  P3  2  0.0000  0.2267  0.5609  1
]