data_NaSr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   120.85
_cell_angle_beta   119.65
_cell_angle_gamma   89.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Pd
_chemical_formula_sum   'Na1 Sr2 Pd1'
_cell_volume   126.87
_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  0.0  1.0
  Sr  Sr2  1  0.79  0.0  0.02  1.0
  Sr  Sr3  1  0.0  0.84  0.99  1.0
  Pd  Pd1  1  0.0  0.0  0.01  1.0

data_NaSr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   60.35
_cell_angle_beta   60.43
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Pd
_chemical_formula_sum   'Na1 Sr2 Pd1'
_cell_volume   126.87
_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  0.0  1.0
  Sr  Sr1  1  0.0  0.21  0.02  1.0
  Sr  Sr2  1  0.84  -0.0  0.15  1.0
  Pd  Pd3  1  0.0  0.0  0.01  1.0

Na Sr Sr Pd