data_[La8Dy12Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1250]
_cell_length_b [17.8586]
_cell_length_c [8.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Dy3Hg4]
_chemical_formula_sum '[La8 Dy12 Hg16]'
_cell_volume [1056.9943]
_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  8  0.0000  0.0951  0.5892  1.0
  Dy  Dy1  8  0.2500  0.2382  0.2500  1.0
  Dy  Dy2  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1703  0.9739  1.0
  Hg  Hg4  8  0.2500  0.0645  0.2500  1.0
]