data_[La12Sm4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7635]
_cell_length_b [7.0856]
_cell_length_c [8.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3SmAg]
_chemical_formula_sum '[La12 Sm4 Ag4]'
_cell_volume [650.3021]
_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
[
  La  La0  8  0.1586  0.2592  0.1312  1
  La  La1  4  0.0476  0.5000  0.6906  1
  Sm  Sm2  4  0.1794  0.0000  0.4941  1
  Ag  Ag3  4  0.0722  0.0000  0.7976  1
]