data_SrLa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Se
_chemical_formula_sum   'Sr1 La2 Se1'
_cell_volume   151.9
_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  0.41  1.0
  La  La0  1  0.16  0.0  0.76  1.0
  La  La1  1  0.16  0.0  0.06  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_SrLa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Se
_chemical_formula_sum   'Sr1 La2 Se1'
_cell_volume   151.9
_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  0.0  0.41  1.0
  La  La1  1  0.16  0.0  0.06  1.0
  La  La2  1  0.16  0.0  0.76  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr La La Se
Sr La La Se 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 
SrLa2Se crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 8-coordinate geometry to six equivalent Sr(1), one La(1), and one La(2) atom. There are four shorter (3.90 Å) and two longer (4.32 Å) Sr(1)-Sr(1) bond lengths. The Sr(1)-La(1) bond length is 3.85 Å. The Sr(1)-La(2) bond length is 3.85 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Sr(1) and one Se(1) atom. The La(1)-Se(1) bond length is 2.65 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Sr(1) and one Se(1) atom. The La(2)-Se(1) bond length is 0.89 Å. Se(1) is bonded in a distorted single-bond geometry to one La(1) and one La(2) atom.