data_SrLi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   37.0
_cell_angle_beta   37.0
_cell_angle_gamma   37.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Se
_chemical_formula_sum   'Sr1 Li2 Se1'
_cell_volume   98.45
_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  0.0  0.0  0.52  1.0
  Li  Li0  1  0.0  0.0  0.79  1.0
  Li  Li1  1  0.0  0.0  0.18  1.0
  Se  Se2  1  0.0  0.0  0.54  1.0

data_SrLi2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.39
_cell_length_b   4.26
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLi2Se
_chemical_formula_sum   'Sr2 Li4 Se2'
_cell_volume   196.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.48  1.0
  Li  Li1  2  -0.0  0.0  0.21  1.0
  Li  Li2  2  -0.0  0.0  0.82  1.0
  Se  Se3  2  -0.0  0.0  0.46  1.0

Sr Li Li Se
Sr Li Li Se 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o + 2 3 o o o 