[CIF]
data_Sc3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31987474
_cell_length_b   6.31987474
_cell_length_c   4.87808286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.59368258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Mo
_chemical_formula_sum   'Sc6 Mo2'
_cell_volume   167.71327437
_cell_formula_units_Z   2
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
  Mo  Mo0  1  3.13153936  -0.72540334  3.65856215  1
  Mo  Mo1  1  3.13153936  0.72540334  1.21952072  1
  Sc  Sc2  1  3.13153936  -4.60394394  1.21952072  1
  Sc  Sc3  1  3.13153936  4.60394394  3.65856215  1
  Sc  Sc4  1  4.63794720  -1.81326913  1.21952072  1
  Sc  Sc5  1  1.62513152  1.81326913  3.65856215  1
  Sc  Sc6  1  1.62513152  -1.81326913  1.21952072  1
  Sc  Sc7  1  4.63794720  1.81326913  3.65856215  1
[/CIF]
