data_ScNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   4.38
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiTe2
_chemical_formula_sum   'Sc1 Ni1 Te2'
_cell_volume   89.33
_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  0.15  0.0  0.08  1.0
  Ni  Ni0  1  0.16  0.19  0.28  1.0
  Te  Te2  1  0.21  0.19  0.88  1.0
  Te  Te3  1  0.01  0.0  0.87  1.0

data_ScNiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.38
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiTe2
_chemical_formula_sum   'Sc1 Ni1 Te2'
_cell_volume   89.33
_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  0.15  0.0  0.08  1.0
  Ni  Ni1  1  0.16  0.19  0.28  1.0
  Te  Te2  1  0.01  0.0  0.87  1.0
  Te  Te3  1  0.21  0.19  0.88  1.0

Sc Ni Te Te