data_[La2Y6Hg12]
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 [P2_1/m]
_cell_length_a [9.2908]
_cell_length_b [5.2251]
_cell_length_c [11.3174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(YHg2)3]
_chemical_formula_sum '[La2 Y6 Hg12]'
_cell_volume [524.6281]
_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  0.0681  0.2500  0.3821  1
  Y  Y1  2  0.2303  0.2500  0.0032  1
  Y  Y2  2  0.3521  0.7500  0.8075  1
  Y  Y3  2  0.4907  0.2500  0.6135  1
  Hg  Hg4  2  0.0634  0.7500  0.9122  1
  Hg  Hg5  2  0.1443  0.7500  0.2073  1
  Hg  Hg6  2  0.1786  0.2500  0.6920  1
  Hg  Hg7  2  0.2578  0.7500  0.5241  1
  Hg  Hg8  2  0.3613  0.2500  0.2888  1
  Hg  Hg9  2  0.4646  0.7500  0.0944  1
]