data_[Sc10Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4467]
_cell_length_b [3.5814]
_cell_length_c [6.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc5Mo]
_chemical_formula_sum '[Sc10 Mo2]'
_cell_volume [270.5299]
_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
[
  Sc  Sc0  2  0.0275  0.0000  0.5886  1
  Sc  Sc1  2  0.1787  0.5000  0.3524  1
  Sc  Sc2  2  0.1821  0.5000  0.9198  1
  Sc  Sc3  2  0.3596  0.0000  0.7487  1
  Sc  Sc4  2  0.3945  0.0000  0.2091  1
  Mo  Mo5  2  0.0241  0.0000  0.0147  1
]