data_[Sm12Hg4Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8886]
_cell_length_b [4.4030]
_cell_length_c [9.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Hg2BiTe3]
_chemical_formula_sum '[Sm12 Hg4 Bi2 Te6]'
_cell_volume [747.2034]
_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  0.0077  0.0000  0.2544  1.0
  Sm  Sm1  4  0.1625  0.5000  0.6094  1.0
  Sm  Sm2  4  0.1706  0.5000  0.1159  1.0
  Hg  Hg3  4  0.1804  0.0000  0.3763  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1616  0.0000  0.8575  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]