data_KScTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   141.16
_cell_angle_beta   105.64
_cell_angle_gamma   87.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScTe2
_chemical_formula_sum   'K1 Sc1 Te2'
_cell_volume   150.57
_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
  Sc  Sc1  1  0.0  0.0  0.61  1.0
  Te  Te2  1  0.12  0.0  0.7  1.0
  Te  Te3  1  0.0  0.85  0.91  1.0

data_KScTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   74.36
_cell_angle_beta   70.58
_cell_angle_gamma   70.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScTe2
_chemical_formula_sum   'K1 Sc1 Te2'
_cell_volume   150.57
_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
  Sc  Sc1  1  0.0  0.0  0.61  1.0
  Te  Te2  1  0.0  0.88  0.7  1.0
  Te  Te3  1  0.85  -0.0  0.06  1.0

K Sc Te Te