data_KSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.1
_cell_angle_alpha   102.65
_cell_angle_beta   102.65
_cell_angle_gamma   39.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Te
_chemical_formula_sum   'K1 Si2 Te1'
_cell_volume   114.54
_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
  Si  Si1  1  0.62  0.0  0.71  1.0
  Si  Si2  1  0.38  0.0  0.23  1.0
  Te  Te3  1  0.5  0.0  0.97  1.0

data_KSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.53
_cell_length_c   6.1
_cell_angle_alpha   102.65
_cell_angle_beta   90.0
_cell_angle_gamma   109.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Te
_chemical_formula_sum   'K1 Si2 Te1'
_cell_volume   114.54
_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
  Si  Si1  1  0.0  0.38  0.29  1.0
  Si  Si2  1  0.0  0.62  0.77  1.0
  Te  Te3  1  0.0  0.5  0.03  1.0

K Si Si Te
K Si Si Te 0 1 - o - 0 3 - o - 0 3 o o - 0 2 o o o 1 3 o o o 2 3 o o - 