data_[Th4Ag12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3730]
_cell_length_b [27.9242]
_cell_length_c [4.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThAg3Sn]
_chemical_formula_sum '[Th4 Ag12 Sn4]'
_cell_volume [458.4870]
_cell_formula_units_Z [4]
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  4  0.0000  0.0757  0.7500  1
  Ag  Ag1  4  0.0000  0.3181  0.2500  1
  Ag  Ag2  4  0.0000  0.3735  0.7500  1
  Ag  Ag3  4  0.0000  0.4746  0.7500  1
  Sn  Sn4  4  0.0000  0.2123  0.2500  1
]