data_ScGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   150.06
_cell_angle_beta   149.09
_cell_angle_gamma   43.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeTe2
_chemical_formula_sum   'Sc1 Ge1 Te2'
_cell_volume   108.89
_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  Sc1  1  0.0  0.0  0.17  1.0
  Ge  Ge0  1  0.0  0.0  0.3  1.0
  Te  Te2  1  0.0  0.0  0.39  1.0
  Te  Te3  1  0.0  0.0  0.1  1.0

data_ScGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.01
_cell_length_c   7.52
_cell_angle_alpha   105.46
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeTe2
_chemical_formula_sum   'Sc1 Ge1 Te2'
_cell_volume   108.89
_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  0.17  0.17  1.0
  Ge  Ge1  1  1.0  0.29  0.29  1.0
  Te  Te2  1  0.0  0.1  0.1  1.0
  Te  Te3  1  1.0  0.39  0.39  1.0

Sc Ge Te Te