data_ScCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.92
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   102.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoTe2
_chemical_formula_sum   'Sc1 Co1 Te2'
_cell_volume   99.85
_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  0.55  0.0  0.82  1.0
  Co  Co0  1  0.37  0.46  0.54  1.0
  Te  Te2  1  0.23  0.46  0.26  1.0
  Te  Te3  1  0.35  0.0  0.72  1.0

data_ScCoTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.92
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   102.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoTe2
_chemical_formula_sum   'Sc1 Co1 Te2'
_cell_volume   99.85
_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  0.55  0.0  0.82  1.0
  Co  Co1  1  0.37  0.46  0.54  1.0
  Te  Te2  1  0.23  0.46  0.26  1.0
  Te  Te3  1  0.35  0.0  0.72  1.0

Sc Co Te Te