data_LaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   151.26
_cell_angle_beta   130.32
_cell_angle_gamma   58.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs3
_chemical_formula_sum   'La1 Os3'
_cell_volume   71.93
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.45  0.0  0.85  1.0
  Os  Os2  1  0.0  0.0  0.08  1.0
  Os  Os3  1  0.0  0.45  0.23  1.0

data_LaOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.89
_cell_length_c   5.82
_cell_angle_alpha   114.84
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs3
_chemical_formula_sum   'La1 Os3'
_cell_volume   71.93
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.59  0.15  0.59  1.0
  Os  Os2  1  0.77  0.21  0.21  1.0
  Os  Os3  1  0.92  0.92  0.92  1.0

La Os Os Os
La Os Os Os 0 2 o o o 0 1 o o - 0 1 - o - 0 3 o o o 1 3 o - o 1 3 o o + 1 1 o + + 1 2 + o + 
LaOs3 crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to one Os(2), two equivalent Os(1), and two equivalent Os(3) atoms. The La(1)-Os(2) bond length is 0.49 Å. There is one shorter (2.75 Å) and one longer (3.22 Å) La(1)-Os(1) bond length. There is one shorter (1.56 Å) and one longer (2.26 Å) La(1)-Os(3) bond length. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent Os(1), two equivalent Os(2), and two equivalent Os(3) atoms. Both Os(1)-Os(1) bond lengths are 2.89 Å. There is one shorter (2.57 Å) and one longer (3.42 Å) Os(1)-Os(2) bond length. There is one shorter (2.53 Å) and one longer (2.94 Å) Os(1)-Os(3) bond length. In the second Os site, Os(2) is bonded in a single-bond geometry to one La(1) and two equivalent Os(1) atoms. In the third Os site, Os(3) is bonded in a 2-coordinate geometry to two equivalent La(1) and two equivalent Os(1) atoms.