data_NiTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.93
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe2Pd
_chemical_formula_sum   'Ni1 Te2 Pd1'
_cell_volume   84.08
_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  Te2  1  0.16  0.96  0.3  1.0
  Te  Te3  1  0.88  0.96  0.34  1.0
  Pd  Pd1  1  0.62  0.0  0.82  1.0

data_NiTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.93
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe2Pd
_chemical_formula_sum   'Ni1 Te2 Pd1'
_cell_volume   84.08
_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  0.16  0.96  0.3  1.0
  Te  Te2  1  0.88  0.96  0.34  1.0
  Pd  Pd3  1  0.62  0.0  0.82  1.0

Ni Te Te Pd
Ni Te Te Pd 0 3 - o - 0 1 o - o 1 2 - o o 