data_K2ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87
_cell_length_b   11.87
_cell_length_c   11.87
_cell_angle_alpha   20.69
_cell_angle_beta   20.69
_cell_angle_gamma   20.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScTe
_chemical_formula_sum   'K2 Sc1 Te1'
_cell_volume   182.79
_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  0.89  1.0
  K  K1  1  0.0  0.0  0.26  1.0
  Sc  Sc2  1  0.0  0.0  0.49  1.0
  Te  Te3  1  0.0  0.0  0.62  1.0

data_K2ScTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.38
_cell_length_b   4.26
_cell_length_c   11.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2ScTe
_chemical_formula_sum   'K4 Sc2 Te2'
_cell_volume   365.59
_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  0.11  1.0
  K  K1  2  0.0  0.0  0.74  1.0
  Sc  Sc2  2  0.0  0.0  0.51  1.0
  Te  Te3  2  0.0  0.0  0.38  1.0

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