data_[Sm8Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8715]
_cell_length_b [3.7751]
_cell_length_c [10.2562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2HgO4]
_chemical_formula_sum '[Sm8 Hg4 O16]'
_cell_volume [458.0164]
_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  0.1195  0.5000  0.4601  1.0
  Sm  Sm1  4  0.1593  0.0000  0.7985  1.0
  Hg  Hg2  4  0.1144  0.0000  0.1618  1.0
  O  O3  4  0.0359  0.0000  0.2811  1.0
  O  O4  4  0.0816  0.5000  0.6534  1.0
  O  O5  4  0.2029  0.0000  0.0556  1.0
  O  O6  4  0.2302  0.0000  0.6113  1.0
]