data_YCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdTe2
_chemical_formula_sum   'Y1 Cd1 Te2'
_cell_volume   115.97
_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  0.66  1.0
  Cd  Cd0  1  0.8  0.0  0.38  1.0
  Te  Te1  1  0.0  0.0  0.68  1.0
  Te  Te2  1  0.8  0.0  0.6  1.0

data_YCdTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdTe2
_chemical_formula_sum   'Y1 Cd1 Te2'
_cell_volume   115.97
_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  0.0  0.66  1.0
  Cd  Cd1  1  0.8  0.0  0.38  1.0
  Te  Te2  1  0.0  0.0  0.68  1.0
  Te  Te3  1  0.8  0.0  0.6  1.0

Y Cd Te Te
Y Cd Te Te 0 2 o o o 0 3 - o o 1 3 o o o 2 3 - o o 