data_NiAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAs2Pd
_chemical_formula_sum   'Ni1 As2 Pd1'
_cell_volume   66.64
_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  Ni2  1  0.0  0.0  0.82  1.0
  As  As0  1  0.0  0.0  0.47  1.0
  As  As1  1  0.06  0.0  0.02  1.0
  Pd  Pd3  1  0.06  0.0  0.99  1.0

data_NiAs2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiAs2Pd
_chemical_formula_sum   'Ni1 As2 Pd1'
_cell_volume   66.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.82  1.0
  As  As1  1  0.0  0.0  0.47  1.0
  As  As2  1  0.06  0.0  0.02  1.0
  Pd  Pd3  1  0.06  0.0  0.99  1.0

Ni As As Pd