data_[Mg2Sc1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P1]
_cell_length_a [5.2336]
_cell_length_b [5.2688]
_cell_length_c [5.6155]
_cell_angle_alpha [62.1782]
_cell_angle_beta [62.8194]
_cell_angle_gamma [60.4679]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2ScWO6]
_chemical_formula_sum '[Mg2 Sc1 W1 O6]'
_cell_volume [113.8645]
_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
[
  Mg  Mg0  1  0.0281  0.0125  0.9346  1.0
  Mg  Mg1  1  0.5288  0.5288  0.4246  1.0
  Sc  Sc2  1  0.8170  0.8102  0.5656  1.0
  W  W3  1  0.3202  0.3204  0.0452  1.0
  O  O4  1  0.1145  0.4142  0.7695  1.0
  O  O5  1  0.2099  0.9359  0.2544  1.0
  O  O6  1  0.4195  0.7082  0.7573  1.0
  O  O7  1  0.5824  0.2220  0.2522  1.0
  O  O8  1  0.7063  0.1093  0.7621  1.0
  O  O9  1  0.9348  0.6000  0.2496  1.0
]