data_[La4Sm12Hg4]
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 [P2_1/c]
_cell_length_a [9.1518]
_cell_length_b [6.1271]
_cell_length_c [12.3798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaSm3Hg]
_chemical_formula_sum '[La4 Sm12 Hg4]'
_cell_volume [622.8518]
_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  4  0.1387  0.6997  0.0830  1.0
  Sm  Sm1  4  0.0616  0.1531  0.2278  1.0
  Sm  Sm2  4  0.3646  0.7018  0.9125  1.0
  Sm  Sm3  4  0.4350  0.1620  0.7746  1.0
  Hg  Hg4  4  0.2572  0.1658  0.9981  1.0
]