data_[Sr4Sc2W2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7371]
_cell_length_b [5.7549]
_cell_length_c [8.1986]
_cell_angle_alpha [89.9069]
_cell_angle_beta [89.8087]
_cell_angle_gamma [89.9343]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2ScWO6]
_chemical_formula_sum '[Sr4 Sc2 W2 O12]'
_cell_volume [270.6891]
_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  0.0051  0.9707  0.7588  1.0
  Sr  Sr1  2  0.4995  0.4770  0.7588  1.0
  Sc  Sc2  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  1  0.5000  0.0000  0.0000  1.0
  W  W4  1  0.0000  0.5000  0.0000  1.0
  W  W5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0603  0.4846  0.2555  1.0
  O  O7  2  0.2147  0.2179  0.9688  1.0
  O  O8  2  0.2308  0.2044  0.5321  1.0
  O  O9  2  0.2829  0.7157  0.9731  1.0
  O  O10  2  0.2972  0.7293  0.5302  1.0
  O  O11  2  0.4413  0.9922  0.2644  1.0
]