data_ScAgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   140.11
_cell_angle_beta   140.11
_cell_angle_gamma   57.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgTe
_chemical_formula_sum   'Sc1 Ag1 Te1'
_cell_volume   68.06
_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  0.16  1.0
  Ag  Ag0  1  0.0  0.0  0.6  1.0
  Te  Te2  1  0.0  0.0  0.52  1.0

data_ScAgTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   118.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScAgTe
_chemical_formula_sum   'Sc2 Ag2 Te2'
_cell_volume   136.13
_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  0.84  1.0
  Ag  Ag1  2  0.0  0.0  0.4  1.0
  Te  Te2  2  0.0  0.0  0.48  1.0

Sc Ag Te
Sc Ag Te 0 2 o o o 1 2 o o o 