data_[Sc1In1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9167]
_cell_length_b [4.4137]
_cell_length_c [5.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScInW2]
_chemical_formula_sum '[Sc1 In1 W2]'
_cell_volume [74.5588]
_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
[
  Sc  Sc0  1  0.5420  0.5000  0.7648  1
  In  In1  1  0.9643  0.0000  0.4951  1
  W  W2  1  0.0711  0.0000  0.0163  1
  W  W3  1  0.4226  0.5000  0.2238  1
]