data_YMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo2Cl
_chemical_formula_sum   'Y1 Mo2 Cl1'
_cell_volume   78.06
_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
  Y  Y3  1  0.58  0.0  0.0  1.0
  Mo  Mo1  1  0.29  0.55  0.49  1.0
  Mo  Mo2  1  0.29  0.45  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YMo2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.15
_cell_length_b   2.97
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   116.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YMo2Cl
_chemical_formula_sum   'Y1 Mo2 Cl1'
_cell_volume   78.06
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.0  0.0  0.42  1.0
  Mo  Mo1  1  0.45  0.5  0.16  1.0
  Mo  Mo2  1  0.55  0.5  0.26  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Y Mo Mo Cl
YMo2Cl crystallizes in the triclinic P1 space group. Y(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Cl(1) atoms. There is one shorter (2.54 Å) and one longer (2.59 Å) Y(1)-Mo(1) bond length. There is one shorter (2.41 Å) and one longer (3.30 Å) Y(1)-Cl(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 0.53 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cl(1) atoms. There is one shorter (2.54 Å) and one longer (2.59 Å) Mo(2)-Cl(1) bond length. Cl(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Y(1) and two equivalent Mo(2) atoms.