data_[La18Sm6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.4176]
_cell_length_b [6.4176]
_cell_length_c [31.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [La3SmHg]
_chemical_formula_sum '[La18 Sm6 Hg6]'
_cell_volume [1115.0188]
_cell_formula_units_Z [6]
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  18  0.0123  0.3158  0.4150  1
  Sm  Sm1  6  0.0000  0.0000  0.1631  1
  Hg  Hg2  6  0.0000  0.0000  0.3302  1
]