data_[Sr2Sc2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4278]
_cell_length_b [3.1834]
_cell_length_c [7.4868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrScW2]
_chemical_formula_sum '[Sr2 Sc2 W4]'
_cell_volume [200.3187]
_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
[
  Sr  Sr0  2  0.2588  0.0000  0.7863  1
  Sc  Sc1  2  0.4826  0.0000  0.4145  1
  W  W2  2  0.0171  0.0000  0.0853  1
  W  W3  2  0.2415  0.5000  0.2139  1
]