data_Y2ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScTe
_chemical_formula_sum   'Y2 Sc1 Te1'
_cell_volume   108.92
_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
  Y  Y2  1  0.63  0.73  0.84  1.0
  Y  Y3  1  0.63  0.27  0.84  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.26  0.0  0.0  1.0

data_Y2ScTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   108.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScTe
_chemical_formula_sum   'Y2 Sc1 Te1'
_cell_volume   108.92
_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
  Y  Y0  1  0.84  0.63  0.27  1.0
  Y  Y1  1  0.84  0.63  0.73  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  -0.0  0.26  0.0  1.0

Y Y Sc Te
Y Y Sc Te 0 1 o o o 0 2 + + + 1 3 o o + 2 3 o o o 