data_Sr2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.0
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   92.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TePb
_chemical_formula_sum   'Sr2 Te1 Pb1'
_cell_volume   139.38
_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  0.69  1.0  0.75  1.0
  Sr  Sr2  1  0.87  1.0  0.01  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.79  0.0  0.38  1.0

data_Sr2TePb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   4.0
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   92.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2TePb
_chemical_formula_sum   'Sr2 Te1 Pb1'
_cell_volume   139.38
_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  0.69  0.0  0.75  1.0
  Sr  Sr1  1  0.87  0.0  0.01  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.79  0.0  0.38  1.0

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