data_[Th4Fe2Ag5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5028]
_cell_length_b [3.7139]
_cell_length_c [9.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Fe2Ag5]
_chemical_formula_sum '[Th4 Fe2 Ag5]'
_cell_volume [252.0658]
_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  0.1852  0.5000  0.8382  1
  Th  Th1  2  0.2166  0.5000  0.4341  1
  Fe  Fe2  2  0.0638  0.0000  0.6465  1
  Ag  Ag3  2  0.1768  0.0000  0.1363  1
  Ag  Ag4  2  0.4598  0.0000  0.6710  1
  Ag  Ag5  1  0.5000  0.0000  0.0000  1
]