data_[Sm12Hg2Bi4Te6]
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 [19.5377]
_cell_length_b [4.4510]
_cell_length_c [9.0450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6HgBi2Te3]
_chemical_formula_sum '[Sm12 Hg2 Bi4 Te6]'
_cell_volume [764.4511]
_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  0.0016  0.0000  0.7561  1.0
  Sm  Sm1  4  0.1619  0.5000  0.0810  1.0
  Sm  Sm2  4  0.1675  0.5000  0.5818  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1653  0.0000  0.3323  1.0
  Te  Te5  4  0.1700  0.0000  0.8338  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]