data_Y2ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.44
_cell_angle_alpha   113.72
_cell_angle_beta   113.72
_cell_angle_gamma   33.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScTe
_chemical_formula_sum   'Y2 Sc1 Te1'
_cell_volume   112.66
_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  0.25  0.0  0.15  1.0
  Y  Y3  1  0.3  0.0  0.66  1.0
  Sc  Sc0  1  0.68  0.0  0.34  1.0
  Te  Te1  1  0.74  0.0  0.26  1.0

data_Y2ScTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.44
_cell_length_c   6.41
_cell_angle_alpha   113.72
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScTe
_chemical_formula_sum   'Y2 Sc1 Te1'
_cell_volume   112.66
_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  0.0  0.15  0.25  1.0
  Y  Y1  1  0.0  0.66  0.3  1.0
  Sc  Sc2  1  0.0  0.34  0.68  1.0
  Te  Te3  1  0.0  0.26  0.74  1.0

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