data_Sr2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MoPb
_chemical_formula_sum   'Sr2 Mo1 Pb1'
_cell_volume   127.62
_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  0.59  0.0  0.37  1.0
  Sr  Sr3  1  0.0  0.59  0.37  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.59  0.59  0.0  1.0

data_Sr2MoPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2MoPb
_chemical_formula_sum   'Sr4 Mo2 Pb2'
_cell_volume   255.24
_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  4  0.3  0.3  0.37  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.09  0.5  0.0  1.0

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