data_CaLa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   3.97
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Os
_chemical_formula_sum   'Ca1 La2 Os1'
_cell_volume   127.77
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.07  0.98  0.5  1.0
  La  La2  1  0.62  0.98  0.32  1.0
  Os  Os3  1  0.29  0.0  0.91  1.0

data_CaLa2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.12
_cell_length_c   7.94
_cell_angle_alpha   100.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Os
_chemical_formula_sum   'Ca1 La2 Os1'
_cell_volume   127.77
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.02  0.38  0.68  1.0
  La  La2  1  0.02  0.93  0.5  1.0
  Os  Os3  1  0.0  0.71  0.09  1.0

Ca La La Os
Ca La La Os 0 3 o o - 1 2 - o o 
CaLa2Os crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted single-bond geometry to two equivalent La(2) and one Os(1) atom. There is one shorter (3.20 Å) and one longer (3.24 Å) Ca(1)-La(2) bond length. The Ca(1)-Os(1) bond length is 1.50 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to two equivalent La(2) and one Os(1) atom. There is one shorter (2.14 Å) and one longer (2.86 Å) La(1)-La(2) bond length. The La(1)-Os(1) bond length is 3.22 Å. In the second La site, La(2) is bonded in a 7-coordinate geometry to two equivalent Ca(1), two equivalent La(1), two equivalent La(2), and one Os(1) atom. Both La(2)-La(2) bond lengths are 3.97 Å. The La(2)-Os(1) bond length is 3.30 Å. Os(1) is bonded in a distorted single-bond geometry to one Ca(1), one La(1), and one La(2) atom.