data_ScZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   29.98
_cell_angle_beta   29.98
_cell_angle_gamma   29.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnTe2
_chemical_formula_sum   'Sc1 Zn1 Te2'
_cell_volume   114.97
_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  0.51  1.0
  Zn  Zn3  1  0.0  0.0  0.54  1.0
  Te  Te1  1  0.0  0.0  0.38  1.0
  Te  Te2  1  0.0  0.0  0.13  1.0

data_ScZnTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   4.16
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZnTe2
_chemical_formula_sum   'Sc2 Zn2 Te4'
_cell_volume   229.95
_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
  Sc  Sc0  2  0.0  0.0  0.49  1.0
  Zn  Zn1  2  0.0  0.0  0.46  1.0
  Te  Te2  2  0.0  0.0  0.62  1.0
  Te  Te3  2  0.0  0.0  0.87  1.0

Sc Zn Te Te