data_LaMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMoOs2
_chemical_formula_sum   'La1 Mo1 Os2'
_cell_volume   74.32
_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  0.82  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.56  0.56  0.5  1.0
  Os  Os3  1  0.56  0.56  0.14  1.0

data_LaMoOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMoOs2
_chemical_formula_sum   'La2 Mo2 Os4'
_cell_volume   148.64
_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
  La  La0  2  0.0  0.0  0.82  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.06  0.5  0.14  1.0
  Os  Os3  2  0.06  0.5  0.5  1.0

La Mo Os Os
LaMoOs2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to one Mo(1) and four equivalent Os(1) atoms. The La(1)-Mo(1) bond length is 1.37 Å. There are a spread of La(1)-Os(1) bond distances ranging from 3.13-3.48 Å. Mo(1) is bonded in a single-bond geometry to one La(1) and four equivalent Os(2) atoms. There are a spread of Mo(1)-Os(2) bond distances ranging from 2.23-2.70 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 9-coordinate geometry to four equivalent La(1), one Os(2), and four equivalent Os(1) atoms. The Os(1)-Os(2) bond length is 2.72 Å. All Os(1)-Os(1) bond lengths are 3.12 Å. In the second Os site, Os(2) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one Os(1) atom.