data_KSmTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   30.58
_cell_angle_beta   30.58
_cell_angle_gamma   30.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSmTe2
_chemical_formula_sum   'K1 Sm1 Te2'
_cell_volume   149.84
_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
  Sm  Sm1  1  0.0  0.0  0.4  1.0
  Te  Te2  1  0.0  0.0  0.88  1.0
  Te  Te3  1  0.0  0.0  0.91  1.0

data_KSmTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.93
_cell_length_b   4.58
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSmTe2
_chemical_formula_sum   'K2 Sm2 Te4'
_cell_volume   299.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sm  Sm1  2  -0.0  0.0  0.6  1.0
  Te  Te2  2  -0.0  0.0  0.09  1.0
  Te  Te3  2  -0.0  0.0  0.12  1.0

K Sm Te Te
K Sm Te Te 0 3 o o - 0 1 o + - 0 1 + o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 3 o o o 1 2 o o - 1 2 o o o 2 3 o o o 