data_YSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   137.88
_cell_angle_beta   137.88
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Te
_chemical_formula_sum   'Y1 Si2 Te1'
_cell_volume   88.12
_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  Y3  1  0.0  0.0  0.02  1.0
  Si  Si0  1  0.0  0.09  0.51  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.09  0.0  0.51  1.0

data_YSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.83
_cell_angle_alpha   111.06
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Te
_chemical_formula_sum   'Y1 Si2 Te1'
_cell_volume   88.12
_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  0.02  0.02  0.02  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.42  0.51  0.42  1.0
  Te  Te3  1  0.51  0.42  0.42  1.0

Y Si Si Te
Y Si Si Te 0 2 o o o 1 3 o o o 