data_[Sc10W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4067]
_cell_length_b [9.6583]
_cell_length_c [3.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc5W3]
_chemical_formula_sum '[Sc10 W6]'
_cell_volume [319.5511]
_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  4  0.0000  0.2644  0.5000  1
  Sc  Sc1  4  0.2500  0.2500  0.0000  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  W  W3  4  0.2135  0.5000  0.5000  1
  W  W4  2  0.0000  0.5000  0.0000  1
]