data_[Mg2W9O13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [3.2226]
_cell_length_b [5.5270]
_cell_length_c [19.1479]
_cell_angle_alpha [83.6506]
_cell_angle_beta [88.3208]
_cell_angle_gamma [73.7422]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2W9O13]
_chemical_formula_sum '[Mg2 W9 O13]'
_cell_volume [325.4069]
_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  2  0.1852  0.5243  0.2362  1
  W  W1  2  0.0973  0.9712  0.6874  1
  W  W2  2  0.1532  0.7648  0.8838  1
  W  W3  2  0.3571  0.4809  0.6054  1
  W  W4  2  0.3816  0.2804  0.9498  1
  W  W5  1  0.0000  0.0000  0.5000  1
  O  O6  2  0.0185  0.7758  0.4112  1
  O  O7  2  0.1960  0.5363  0.1182  1
  O  O8  2  0.2076  0.6985  0.7784  1
  O  O9  2  0.2645  0.3002  0.3411  1
  O  O10  2  0.4660  0.9880  0.1235  1
  O  O11  2  0.4668  0.2357  0.7099  1
  O  O12  1  0.0000  0.0000  0.0000  1
]