data_SrLi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   4.29
_cell_angle_alpha   72.59
_cell_angle_beta   72.51
_cell_angle_gamma   34.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Se
_chemical_formula_sum   'Sr1 Li2 Se1'
_cell_volume   119.42
_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  0.03  0.04  0.48  1.0
  Li  Li0  1  0.52  0.04  0.24  1.0
  Li  Li1  1  0.52  0.0  0.24  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SrLi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   7.16
_cell_angle_alpha   107.41
_cell_angle_beta   107.41
_cell_angle_gamma   90.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Se
_chemical_formula_sum   'Sr1 Li2 Se1'
_cell_volume   119.42
_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  0.48  0.97  0.93  1.0
  Li  Li1  1  0.24  0.48  0.45  1.0
  Li  Li2  1  0.24  0.48  0.48  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr Li Li Se