data_Cu2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.21
_cell_angle_alpha   107.6
_cell_angle_beta   107.6
_cell_angle_gamma   44.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TePd
_chemical_formula_sum   'Cu2 Te1 Pd1'
_cell_volume   64.33
_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
  Cu  Cu0  1  0.51  0.0  0.88  1.0
  Cu  Cu1  1  0.18  0.0  0.06  1.0
  Te  Te3  1  0.35  0.0  0.01  1.0
  Pd  Pd2  1  0.78  0.0  0.0  1.0

data_Cu2TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.21
_cell_length_c   4.81
_cell_angle_alpha   107.6
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TePd
_chemical_formula_sum   'Cu2 Te1 Pd1'
_cell_volume   64.33
_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
  Cu  Cu0  1  0.0  0.06  0.18  1.0
  Cu  Cu1  1  0.0  0.88  0.51  1.0
  Te  Te2  1  0.0  0.01  0.35  1.0
  Pd  Pd3  1  0.0  0.0  0.78  1.0

Cu Cu Te Pd