data_Sr2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   132.47
_cell_angle_beta   118.59
_cell_angle_gamma   81.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnSe
_chemical_formula_sum   'Sr2 Sn1 Se1'
_cell_volume   130.34
_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  0.39  0.0  0.01  1.0
  Sr  Sr3  1  0.0  0.03  0.5  1.0
  Sn  Sn1  1  0.0  0.0  0.5  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Sr2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   61.41
_cell_angle_beta   66.23
_cell_angle_gamma   66.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SnSe
_chemical_formula_sum   'Sr2 Sn1 Se1'
_cell_volume   130.34
_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  0.61  0.01  1.0
  Sr  Sr1  1  0.03  0.0  0.47  1.0
  Sn  Sn2  1  0.0  -0.0  0.5  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr Sr Sn Se