data_[Sm16Cu4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1200]
_cell_length_b [5.1711]
_cell_length_c [7.1196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Cu2Hg]
_chemical_formula_sum '[Sm16 Cu4 Hg2]'
_cell_volume [633.9073]
_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
[
  Sm  Sm0  4  0.0332  0.0000  0.7711  1.0
  Sm  Sm1  4  0.0931  0.5000  0.4703  1.0
  Sm  Sm2  4  0.1765  0.5000  0.9892  1.0
  Sm  Sm3  4  0.1970  0.0000  0.3338  1.0
  Cu  Cu4  4  0.1807  0.0000  0.7170  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]