data_[Th2Al4In1Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3826]
_cell_length_b [4.3826]
_cell_length_c [11.0684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Th2Al4InAg3]
_chemical_formula_sum '[Th2 Al4 In1 Ag3]'
_cell_volume [212.5908]
_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
[
  Th  Th0  2  0.0000  0.5000  0.7549  1
  Al  Al1  2  0.0000  0.5000  0.3528  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Al  Al3  1  0.5000  0.5000  0.0000  1
  In  In4  1  0.5000  0.5000  0.5000  1
  Ag  Ag5  2  0.0000  0.5000  0.1279  1
  Ag  Ag6  1  0.0000  0.0000  0.5000  1
]