data_[Mg2Bi1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4069]
_cell_length_b [5.4128]
_cell_length_c [5.7949]
_cell_angle_alpha [117.7955]
_cell_angle_beta [90.2118]
_cell_angle_gamma [119.1230]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2BiWO6]
_chemical_formula_sum '[Mg2 Bi1 W1 O6]'
_cell_volume [125.0896]
_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  0.2103  0.4243  0.6392  1.0
  Mg  Mg1  1  0.7064  0.4238  0.1154  1.0
  Bi  Bi2  1  0.4999  0.9864  0.4715  1.0
  W  W3  1  0.0031  0.0117  0.0211  1.0
  O  O4  1  0.0528  0.9076  0.3070  1.0
  O  O5  1  0.2576  0.8974  0.8315  1.0
  O  O6  1  0.3983  0.4689  0.3027  1.0
  O  O7  1  0.6119  0.5620  0.8400  1.0
  O  O8  1  0.8386  0.2455  0.2979  1.0
  O  O9  1  0.9127  0.2092  0.8254  1.0
]