data_Sr2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   128.08
_cell_angle_beta   128.08
_cell_angle_gamma   76.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RuPb
_chemical_formula_sum   'Sr2 Ru1 Pb1'
_cell_volume   106.7
_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  Sr2  1  0.0  0.46  0.21  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.41  1.0
  Pb  Pb0  1  0.46  0.0  0.21  1.0

data_Sr2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.62
_cell_angle_alpha   115.96
_cell_angle_beta   115.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RuPb
_chemical_formula_sum   'Sr2 Ru1 Pb1'
_cell_volume   106.7
_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  0.0  0.0  1.0
  Sr  Sr1  1  0.75  0.21  0.75  1.0
  Ru  Ru2  1  0.41  0.41  0.41  1.0
  Pb  Pb3  1  0.21  0.75  0.75  1.0

Sr Sr Ru Pb