data_[La1Y3Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2996]
_cell_length_b [5.2996]
_cell_length_c [7.6719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaY3Hg4]
_chemical_formula_sum '[La1 Y3 Hg4]'
_cell_volume [215.4688]
_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  0.5000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Y  Y2  1  0.5000  0.5000  0.0000  1
  Y  Y3  1  0.5000  0.5000  0.5000  1
  Hg  Hg4  4  0.0000  0.5000  0.2362  1
]