data_[Mg2V1W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1758]
_cell_length_b [5.2053]
_cell_length_c [5.5514]
_cell_angle_alpha [62.5862]
_cell_angle_beta [62.4262]
_cell_angle_gamma [60.7670]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2VWO6]
_chemical_formula_sum '[Mg2 V1 W1 O6]'
_cell_volume [110.2522]
_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  0.2663  0.3017  0.1411  1.0
  Mg  Mg1  1  0.7707  0.7904  0.6427  1.0
  V  V2  1  0.4777  0.5000  0.5178  1.0
  W  W3  1  0.9754  0.9992  0.0237  1.0
  O  O4  1  0.0890  0.3859  0.8064  1.0
  O  O5  1  0.1865  0.8952  0.2964  1.0
  O  O6  1  0.3604  0.7173  0.8095  1.0
  O  O7  1  0.5866  0.2193  0.3085  1.0
  O  O8  1  0.7118  0.1047  0.8107  1.0
  O  O9  1  0.8637  0.6126  0.3078  1.0
]