data_SrPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   140.01
_cell_angle_beta   125.83
_cell_angle_gamma   69.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb2Se
_chemical_formula_sum   'Sr1 Pb2 Se1'
_cell_volume   123.47
_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  0.13  0.0  0.75  1.0
  Pb  Pb0  1  0.0  0.0  0.23  1.0
  Pb  Pb1  1  0.0  0.83  0.39  1.0
  Se  Se2  1  0.0  0.0  0.09  1.0

data_SrPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.67
_cell_length_c   6.22
_cell_angle_alpha   117.09
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb2Se
_chemical_formula_sum   'Sr1 Pb2 Se1'
_cell_volume   123.47
_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  0.75  0.62  1.0
  Pb  Pb1  1  0.0  0.23  0.23  1.0
  Pb  Pb2  1  0.17  0.56  0.56  1.0
  Se  Se3  1  0.0  0.09  0.09  1.0

Sr Pb Pb Se