data_SrYPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYPb2
_chemical_formula_sum   'Sr1 Y1 Pb2'
_cell_volume   139.37
_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  0.0  0.66  1.0
  Y  Y3  1  0.76  0.0  0.72  1.0
  Pb  Pb0  1  0.0  0.0  0.8  1.0
  Pb  Pb1  1  0.76  0.0  0.02  1.0

data_SrYPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrYPb2
_chemical_formula_sum   'Sr1 Y1 Pb2'
_cell_volume   139.44
_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  0.66  1.0
  Y  Y1  1  0.76  0.0  0.72  1.0
  Pb  Pb2  1  0.0  0.0  0.8  1.0
  Pb  Pb3  1  0.76  0.0  0.02  1.0

Sr Y Pb Pb
Sr Y Pb Pb 0 1 - o o 0 2 o o o 1 2 + o o 1 3 o o + 2 3 - o + 