data_[La1Cd2Ag1]
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 [P4mm]
_cell_length_a [3.4826]
_cell_length_b [3.4826]
_cell_length_c [8.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaCd2Ag]
_chemical_formula_sum '[La1 Cd2 Ag1]'
_cell_volume [97.6747]
_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
[
  La  La0  1  0.0000  0.0000  0.5136  1
  Cd  Cd1  1  0.0000  0.0000  0.9841  1
  Cd  Cd2  1  0.5000  0.5000  0.2176  1
  Ag  Ag3  1  0.5000  0.5000  0.7847  1
]