data_image0
_chemical_formula_structural       Mg2V2O6
_chemical_formula_sum              "Mg2 V2 O6"
_cell_length_a       5.623009834992377
_cell_length_b       5.623009834992377
_cell_length_c       5.189287
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    55.02787054633376

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Mg1       1.0  0.427992442008174  0.427992442008174  0.00592181546328041  1.0000
  Mg  Mg2       1.0  0.572007758511614  0.572007758511614  0.505921140996827  1.0000
  V   V1        1.0  0.23897446962014898  0.238974469620149  0.029364342346068002  1.0000
  V   V2        1.0  0.761024728300701  0.761024728300701  0.529363667879614  1.0000
  O   O1        1.0  0.23905081578636594  0.756056701921035  0.258453618001857  1.0000
  O   O2        1.0  0.760949384733421  0.24394349859875197  0.758452943535403  1.0000
  O   O3        1.0  0.756056701921035  0.23905081578636597  0.258453618001857  1.0000
  O   O4        1.0  0.24394349859875186  0.7609493847334211  0.758452943535403  1.0000
  O   O5        1.0  0.0716788058003958  0.0716788058003958  0.0118070170333612  1.0000
  O   O6        1.0  0.9283213947193921  0.9283213947193921  0.511808269613918  1.0000