data_[La8Fe2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0993]
_cell_length_b [5.0993]
_cell_length_c [16.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La4FeAg2]
_chemical_formula_sum '[La8 Fe2 Ag4]'
_cell_volume [420.1534]
_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  0.0000  0.0000  0.1776  1
  La  La1  4  0.0000  0.5000  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.0000  0.3665  1
]