data_[La24Sm4Hg8]
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 [C2/c]
_cell_length_a [16.3298]
_cell_length_b [11.7670]
_cell_length_c [6.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La6SmHg2]
_chemical_formula_sum '[La24 Sm4 Hg8]'
_cell_volume [1161.5885]
_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  0.0574  0.3822  0.5292  1.0
  La  La1  8  0.1165  0.1181  0.8078  1.0
  La  La2  8  0.2389  0.1245  0.3433  1.0
  Sm  Sm3  4  0.0000  0.1389  0.2500  1.0
  Hg  Hg4  8  0.1560  0.3633  0.0954  1.0
]