data_NaAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.72
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Pd
_chemical_formula_sum   'Na1 As2 Pd1'
_cell_volume   79.77
_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
  Na  Na2  1  0.0  0.0  0.24  1.0
  As  As0  1  0.0  0.0  0.33  1.0
  As  As1  1  0.64  0.86  0.39  1.0
  Pd  Pd3  1  0.64  0.86  0.35  1.0

data_NaAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.72
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Pd
_chemical_formula_sum   'Na1 As2 Pd1'
_cell_volume   79.77
_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
  Na  Na0  1  0.0  0.0  0.24  1.0
  As  As1  1  0.0  0.0  0.33  1.0
  As  As2  1  0.64  0.86  0.39  1.0
  Pd  Pd3  1  0.64  0.86  0.35  1.0

Na As As Pd
Na As As Pd 0 1 o o o 2 3 o o o 