data_[K4Sr2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  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 [17.6845]
_cell_length_b [4.6994]
_cell_length_c [8.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sr(HgTe2)2]
_chemical_formula_sum '[K4 Sr2 Hg4 Te8]'
_cell_volume [676.3650]
_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  0.1262  0.0000  0.5612  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1647  0.5000  0.9974  1.0
  Te  Te3  4  0.0214  0.5000  0.7396  1.0
  Te  Te4  4  0.2081  0.0000  0.2049  1.0
]