data_[La16Cd2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9266]
_cell_length_b [5.3439]
_cell_length_c [7.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8CdAg2]
_chemical_formula_sum '[La16 Cd2 Ag4]'
_cell_volume [723.4178]
_cell_formula_units_Z [2]
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  4  0.0246  0.0000  0.7627  1.0
  La  La1  4  0.0876  0.5000  0.4669  1.0
  La  La2  4  0.1724  0.5000  0.9800  1.0
  La  La3  4  0.1922  0.0000  0.3097  1.0
  Cd  Cd4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1789  0.0000  0.7034  1.0
]