data_SrLa2Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.86
_cell_angle_alpha   97.34
_cell_angle_beta   97.34
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Zr
_chemical_formula_sum   'Sr1 La2 Zr1'
_cell_volume   138.97
_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  Sr2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.48  0.0  0.95  1.0
  La  La1  1  0.08  0.0  0.85  1.0
  Zr  Zr3  1  0.28  0.0  0.4  1.0

data_SrLa2Zr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   6.01
_cell_length_c   6.86
_cell_angle_alpha   97.34
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Zr
_chemical_formula_sum   'Sr1 La2 Zr1'
_cell_volume   138.97
_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  0.0  1.0
  La  La1  1  0.0  0.52  0.05  1.0
  La  La2  1  0.0  0.92  0.15  1.0
  Zr  Zr3  1  0.0  0.72  0.6  1.0

Sr La La Zr
Sr La La Zr 0 2 o o - 0 1 o o - 0 3 o o o 1 2 o o o 1 3 o o + 1 3 o o o 2 3 o o + 2 3 o o o 3 3 + - o 
SrLa2Zr crystallizes in the triclinic P1 space group. Sr(1) is bonded in a single-bond geometry to one La(1), one La(2), and one Zr(1) atom. The Sr(1)-La(1) bond length is 3.08 Å. The Sr(1)-La(2) bond length is 1.20 Å. The Sr(1)-Zr(1) bond length is 3.04 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one Sr(1), one La(2), and two equivalent Zr(1) atoms. The La(1)-La(2) bond length is 2.45 Å. There is one shorter (3.44 Å) and one longer (3.84 Å) La(1)-Zr(1) bond length. In the second La site, La(2) is bonded in a single-bond geometry to one Sr(1), one La(1), and one Zr(1) atom. The La(2)-Zr(1) bond length is 3.44 Å. Zr(1) is bonded in a 6-coordinate geometry to one Sr(1), one La(2), two equivalent La(1), and two equivalent Zr(1) atoms. Both Zr(1)-Zr(1) bond lengths are 3.56 Å.