data_ScCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.68
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoTe2
_chemical_formula_sum   'Sc1 Co1 Te2'
_cell_volume   90.54
_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  0.0  1.0
  Co  Co0  1  0.17  0.0  0.2  1.0
  Te  Te2  1  0.18  0.84  0.68  1.0
  Te  Te3  1  1.0  0.84  0.72  1.0

data_ScCoTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.85
_cell_length_c   6.61
_cell_angle_alpha   104.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoTe2
_chemical_formula_sum   'Sc1 Co1 Te2'
_cell_volume   90.54
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.83  0.8  1.0
  Te  Te2  1  0.16  0.0  0.28  1.0
  Te  Te3  1  0.16  0.82  0.32  1.0

Sc Co Te Te