data_[Sm12Hg4Te2Se6]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2429]
_cell_length_b [4.1642]
_cell_length_c [8.8609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Hg2TeSe3]
_chemical_formula_sum '[Sm12 Hg4 Te2 Se6]'
_cell_volume [671.2204]
_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  0.0033  0.0000  0.2682  1
  Sm  Sm1  4  0.1575  0.5000  0.6173  1
  Sm  Sm2  4  0.1728  0.5000  0.0978  1
  Hg  Hg3  4  0.1803  0.0000  0.3722  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1617  0.0000  0.8539  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]