data_KSc2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63
_cell_length_b   10.63
_cell_length_c   10.63
_cell_angle_alpha   21.09
_cell_angle_beta   21.09
_cell_angle_gamma   21.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Te
_chemical_formula_sum   'K1 Sc2 Te1'
_cell_volume   136.24
_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  0.19  1.0
  Sc  Sc2  1  0.0  0.0  0.98  1.0
  Te  Te3  1  0.0  0.0  0.59  1.0

data_KSc2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   3.89
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSc2Te
_chemical_formula_sum   'K2 Sc4 Te2'
_cell_volume   272.48
_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
  Sc  Sc1  2  -0.0  0.0  0.81  1.0
  Sc  Sc2  2  -0.0  0.0  0.02  1.0
  Te  Te3  2  -0.0  0.0  0.41  1.0

K Sc Sc Te