data_YCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   140.82
_cell_angle_beta   140.82
_cell_angle_gamma   56.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuTe2
_chemical_formula_sum   'Y1 Cu1 Te2'
_cell_volume   98.55
_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  0.11  0.77  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.11  0.0  0.77  1.0
  Te  Te2  1  0.0  0.0  0.54  1.0

data_YCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   6.29
_cell_angle_alpha   109.59
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuTe2
_chemical_formula_sum   'Y1 Cu1 Te2'
_cell_volume   98.55
_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  0.66  0.77  0.66  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.54  0.54  0.54  1.0
  Te  Te3  1  0.77  0.66  0.66  1.0

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