data_SrSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.85
_cell_angle_alpha   108.49
_cell_angle_beta   108.49
_cell_angle_gamma   39.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Se
_chemical_formula_sum   'Sr1 Sn2 Se1'
_cell_volume   119.05
_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  0.38  0.0  0.64  1.0
  Sn  Sn1  1  0.02  0.0  0.03  1.0
  Sn  Sn2  1  0.25  0.0  0.5  1.0
  Se  Se0  1  0.85  0.0  0.1  1.0

data_SrSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.83
_cell_length_c   5.85
_cell_angle_alpha   108.49
_cell_angle_beta   90.0
_cell_angle_gamma   109.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Se
_chemical_formula_sum   'Sr1 Sn2 Se1'
_cell_volume   119.05
_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  0.62  0.36  1.0
  Sn  Sn1  1  0.0  0.75  0.5  1.0
  Sn  Sn2  1  0.0  0.98  0.97  1.0
  Se  Se3  1  0.0  0.15  0.9  1.0

Sr Sn Sn Se
Sr Sn Sn Se 0 2 o o o 1 3 - o o 