data_[La2Y2Hg8]
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 [Amm2]
_cell_length_a [5.3227]
_cell_length_b [4.0115]
_cell_length_c [14.9801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaYHg4]
_chemical_formula_sum '[La2 Y2 Hg8]'
_cell_volume [319.8590]
_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  2  0.5000  0.0000  0.6024  1.0
  Y  Y1  2  0.0000  0.0000  0.3922  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0566  1.0
  Hg  Hg3  2  0.0000  0.0000  0.7300  1.0
  Hg  Hg4  2  0.5000  0.0000  0.2724  1.0
  Hg  Hg5  2  0.5000  0.0000  0.9292  1.0
]