data_Sr2ZrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   5.78
_cell_angle_alpha   115.11
_cell_angle_beta   115.11
_cell_angle_gamma   31.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrPd
_chemical_formula_sum   'Sr2 Zr1 Pd1'
_cell_volume   126.57
_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  0.49  0.0  0.21  1.0
  Sr  Sr2  1  0.3  0.0  0.86  1.0
  Zr  Zr3  1  0.58  0.0  0.24  1.0
  Pd  Pd0  1  0.4  0.0  0.47  1.0

data_Sr2ZrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.78
_cell_length_c   6.79
_cell_angle_alpha   115.11
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrPd
_chemical_formula_sum   'Sr2 Zr1 Pd1'
_cell_volume   126.57
_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  Sr0  1  0.0  0.21  0.49  1.0
  Sr  Sr1  1  0.0  0.86  0.3  1.0
  Zr  Zr2  1  0.0  0.24  0.58  1.0
  Pd  Pd3  1  0.0  0.47  0.4  1.0

Sr Sr Zr Pd