data_KHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   141.44
_cell_angle_beta   140.31
_cell_angle_gamma   56.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgTe2
_chemical_formula_sum   'K1 Hg1 Te2'
_cell_volume   130.33
_cell_formula_units_Z   1
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  K1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.09  1.0
  Te  Te2  1  0.28  0.0  0.04  1.0
  Te  Te3  1  0.0  0.35  0.05  1.0

data_KHgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.69
_cell_length_c   6.91
_cell_angle_alpha   109.84
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgTe2
_chemical_formula_sum   'K1 Hg1 Te2'
_cell_volume   130.33
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.91  0.91  0.91  1.0
  Te  Te2  1  0.24  0.96  0.24  1.0
  Te  Te3  1  0.95  0.3  0.3  1.0

K Hg Te Te