data_CdTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.19
_cell_angle_alpha   105.0
_cell_angle_beta   105.0
_cell_angle_gamma   107.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Pd
_chemical_formula_sum   'Cd1 Te2 Pd1'
_cell_volume   98.05
_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
  Cd  Cd0  1  0.1  0.0  0.0  1.0
  Te  Te2  1  0.63  0.1  0.89  1.0
  Te  Te3  1  0.63  0.9  0.89  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_CdTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   107.11
_cell_angle_beta   105.0
_cell_angle_gamma   105.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2Pd
_chemical_formula_sum   'Cd1 Te2 Pd1'
_cell_volume   98.05
_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
  Cd  Cd0  1  -0.0  0.1  0.0  1.0
  Te  Te1  1  0.89  0.63  0.1  1.0
  Te  Te2  1  0.89  0.63  0.9  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Cd Te Te Pd