data_[Sm4Y20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8579]
_cell_length_b [8.1309]
_cell_length_c [12.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmY5Hg]
_chemical_formula_sum '[Sm4 Y20 Hg4]'
_cell_volume [870.8392]
_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
[
  Sm  Sm0  4  0.0000  0.3580  0.2500  1
  Y  Y1  8  0.1507  0.3623  0.5766  1
  Y  Y2  8  0.2233  0.3365  0.8686  1
  Y  Y3  4  0.0000  0.0339  0.7500  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]