data_NiTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.39
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   43.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTePd2
_chemical_formula_sum   'Ni1 Te1 Pd2'
_cell_volume   64.97
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.8  0.0  0.1  1.0
  Pd  Pd1  1  0.29  0.0  0.18  1.0
  Pd  Pd2  1  0.32  0.0  0.02  1.0

data_NiTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.39
_cell_length_c   4.76
_cell_angle_alpha   105.43
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTePd2
_chemical_formula_sum   'Ni1 Te1 Pd2'
_cell_volume   64.97
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.1  0.8  1.0
  Pd  Pd2  1  0.0  0.02  0.32  1.0
  Pd  Pd3  1  0.0  0.18  0.29  1.0

Ni Te Pd Pd