data_[La12Ag4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1953]
_cell_length_b [5.1297]
_cell_length_c [7.0771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AgSn]
_chemical_formula_sum '[La12 Ag4 Sn4]'
_cell_volume [623.5317]
_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  4  0.0176  0.0000  0.2717  1.0
  La  La1  4  0.1117  0.5000  0.0026  1.0
  La  La2  4  0.2121  0.0000  0.6483  1.0
  Ag  Ag3  4  0.2118  0.0000  0.1122  1.0
  Sn  Sn4  4  0.0962  0.5000  0.5206  1.0
]