data_[Sm2Hg2Se4O16]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4132]
_cell_length_b [5.9748]
_cell_length_c [8.2284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHg(SeO4)2]
_chemical_formula_sum '[Sm2 Hg2 Se4 O16]'
_cell_volume [460.9577]
_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  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Se  Se2  4  0.1603  0.5000  0.2314  1.0
  O  O3  8  0.0559  0.2717  0.2013  1.0
  O  O4  4  0.2246  0.0000  0.9127  1.0
  O  O5  4  0.2399  0.5000  0.4198  1.0
]