data_ScCrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   5.76
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrTe2
_chemical_formula_sum   'Sc1 Cr1 Te2'
_cell_volume   98.88
_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  0.59  0.0  0.38  1.0
  Cr  Cr0  1  0.49  0.88  0.81  1.0
  Te  Te2  1  0.45  0.88  0.81  1.0
  Te  Te3  1  0.65  0.0  0.37  1.0

data_ScCrTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.15
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrTe2
_chemical_formula_sum   'Sc1 Cr1 Te2'
_cell_volume   98.88
_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  0.41  0.62  0.0  1.0
  Cr  Cr1  1  0.51  0.19  0.12  1.0
  Te  Te2  1  0.35  0.63  0.0  1.0
  Te  Te3  1  0.55  0.19  0.12  1.0

Sc Cr Te Te
Sc Cr Te Te 0 3 o o o 1 2 o o o 