data_[K4Sm2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4959]
_cell_length_b [4.5186]
_cell_length_c [8.8450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sm(HgTe2)2]
_chemical_formula_sum '[K4 Sm2 Hg4 Te8]'
_cell_volume [637.0544]
_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
[
  K  K0  4  0.1274  0.0000  0.5791  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1889  0.5000  0.0144  1.0
  Te  Te3  4  0.0179  0.5000  0.7629  1.0
  Te  Te4  4  0.1930  0.0000  0.2361  1.0
]