data_Sr4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   94.03
_cell_angle_beta   94.03
_cell_angle_gamma   149.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Pd
_chemical_formula_sum   'Sr4 Pd1'
_cell_volume   210.06
_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
  Sr  Sr1  1  0.54  0.66  1.0  1.0
  Sr  Sr2  1  0.79  0.59  0.0  1.0
  Sr  Sr3  1  0.59  0.47  0.0  1.0
  Sr  Sr4  1  0.34  0.54  1.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sr4Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   14.51
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr4Pd
_chemical_formula_sum   'Sr8 Pd2'
_cell_volume   420.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.05  0.5  0.2  1.0
  Sr  Sr1  2  0.09  0.5  0.8  1.0
  Sr  Sr2  2  0.16  0.5  0.12  1.0
  Sr  Sr3  2  0.47  0.0  0.88  1.0
  Pd  Pd4  2  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Pd