data_LiSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   143.76
_cell_angle_beta   127.44
_cell_angle_gamma   65.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Se
_chemical_formula_sum   'Li1 Sn2 Se1'
_cell_volume   93.62
_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
  Li  Li0  1  0.0  0.0  0.3  1.0
  Sn  Sn2  1  0.0  0.0  0.63  1.0
  Sn  Sn3  1  0.83  0.0  0.6  1.0
  Se  Se1  1  0.0  0.6  0.21  1.0

data_LiSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.2
_cell_length_c   5.87
_cell_angle_alpha   116.28
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Se
_chemical_formula_sum   'Li1 Sn2 Se1'
_cell_volume   93.62
_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
  Li  Li0  1  0.7  0.7  0.7  1.0
  Sn  Sn1  1  0.22  0.4  0.22  1.0
  Sn  Sn2  1  0.37  0.37  0.37  1.0
  Se  Se3  1  0.79  0.39  0.39  1.0

Li Sn Sn Se