data_[Sm2Al5Ag5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2790]
_cell_length_b [5.7160]
_cell_length_c [9.7098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sm2(AlAg)5]
_chemical_formula_sum '[Sm2 Al5 Ag5]'
_cell_volume [237.4903]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.1724  1.0
  Al  Al3  2  0.0000  0.5000  0.3346  1.0
  Al  Al4  1  0.5000  0.0000  0.0000  1.0
  Ag  Ag5  4  0.5000  0.2518  0.2408  1.0
  Ag  Ag6  1  0.5000  0.5000  0.5000  1.0
]