data_LaCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Os
_chemical_formula_sum   'La1 Cr2 Os1'
_cell_volume   69.94
_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  La2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.55  0.55  0.93  1.0
  Cr  Cr1  1  0.55  0.55  0.38  1.0
  Os  Os3  1  0.0  0.0  0.65  1.0

data_LaCr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCr2Os
_chemical_formula_sum   'La2 Cr4 Os2'
_cell_volume   139.88
_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  0.0  1.0
  Cr  Cr1  2  0.05  0.5  0.38  1.0
  Cr  Cr2  2  0.05  0.5  0.93  1.0
  Os  Os3  2  0.0  0.0  0.65  1.0

La Cr Cr Os
LaCr2Os crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and one Os(1) atom. There are a spread of La(1)-Cr(1) bond distances ranging from 2.05-2.45 Å. There are a spread of La(1)-Cr(2) bond distances ranging from 3.42-3.67 Å. The La(1)-Os(1) bond length is 2.52 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to four equivalent La(1), one Cr(2), and four equivalent Os(1) atoms. The Cr(1)-Cr(2) bond length is 3.31 Å. There are a spread of Cr(1)-Os(1) bond distances ranging from 2.82-3.12 Å. In the second Cr site, Cr(2) is bonded in a 13-coordinate geometry to four equivalent La(1), one Cr(1), four equivalent Cr(2), and four equivalent Os(1) atoms. All Cr(2)-Cr(2) bond lengths are 3.09 Å. There are a spread of Cr(2)-Os(1) bond distances ranging from 2.82-3.12 Å. Os(1) is bonded in a 13-coordinate geometry to one La(1), four equivalent Cr(1), four equivalent Cr(2), and four equivalent Os(1) atoms. All Os(1)-Os(1) bond lengths are 3.09 Å.