data_SrCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuPb2
_chemical_formula_sum   'Sr1 Cu1 Pb2'
_cell_volume   113.25
_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  Sr3  1  0.45  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.72  0.74  0.36  1.0
  Pb  Pb2  1  0.72  0.26  0.36  1.0

data_SrCuPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.72
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrCuPb2
_chemical_formula_sum   'Sr1 Cu1 Pb2'
_cell_volume   113.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.45  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.36  0.26  0.72  1.0

Sr Cu Pb Pb