data_ScSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   140.08
_cell_angle_beta   122.77
_cell_angle_gamma   72.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Te
_chemical_formula_sum   'Sc1 Si2 Te1'
_cell_volume   78.45
_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
  Sc  Sc0  1  0.0  0.0  0.94  1.0
  Si  Si1  1  0.0  0.53  0.01  1.0
  Si  Si2  1  0.0  0.0  0.72  1.0
  Te  Te3  1  0.0  0.53  0.17  1.0

data_ScSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.07
_cell_length_c   5.29
_cell_angle_alpha   118.61
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Te
_chemical_formula_sum   'Sc1 Si2 Te1'
_cell_volume   78.45
_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
  Sc  Sc0  1  0.06  0.06  0.06  1.0
  Si  Si1  1  0.28  0.28  0.28  1.0
  Si  Si2  1  0.99  0.52  0.52  1.0
  Te  Te3  1  0.83  0.36  0.36  1.0

Sc Si Si Te
Sc Si Si Te 0 2 o o o 1 3 o o o 