data_Na2ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.74
_cell_angle_alpha   100.88
_cell_angle_beta   100.88
_cell_angle_gamma   51.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScTe
_chemical_formula_sum   'Na2 Sc1 Te1'
_cell_volume   126.22
_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
  Na  Na0  1  0.12  0.0  0.17  1.0
  Na  Na1  1  0.83  0.0  0.61  1.0
  Sc  Sc2  1  0.24  0.0  0.44  1.0
  Te  Te3  1  0.83  0.0  0.13  1.0

data_Na2ScTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.61
_cell_length_c   7.74
_cell_angle_alpha   100.88
_cell_angle_beta   90.0
_cell_angle_gamma   115.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScTe
_chemical_formula_sum   'Na2 Sc1 Te1'
_cell_volume   126.22
_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
  Na  Na0  1  0.0  0.17  0.39  1.0
  Na  Na1  1  0.0  0.88  0.83  1.0
  Sc  Sc2  1  0.0  0.76  0.56  1.0
  Te  Te3  1  0.0  0.17  0.87  1.0

Na Na Sc Te