[CIF]
data_ScMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56385965
_cell_length_b   4.13880130
_cell_length_c   4.96322218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.52893029
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoCl2
_chemical_formula_sum   'Sc1 Mo1 Cl2'
_cell_volume   73.20493852
_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
  Cl  Cl0  1  2.54059369  2.06940065  3.65442131  1
  Cl  Cl1  1  0.97744825  2.06940065  1.30858939  1
  Mo  Mo2  1  1.75902097  0.00000000  2.48150535  1
  Sc  Sc3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
