data_[La2Ag3Sn4Hg1]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6259]
_cell_length_b [4.6259]
_cell_length_c [11.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2Ag3Sn4Hg]
_chemical_formula_sum '[La2 Ag3 Sn4 Hg1]'
_cell_volume [256.5231]
_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  2  0.0000  0.5000  0.7454  1.0
  Ag  Ag1  2  0.0000  0.5000  0.1373  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.3591  1.0
  Sn  Sn4  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn5  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg6  1  0.5000  0.5000  0.5000  1.0
]