data_[Mg1V1In2O6]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2963]
_cell_length_b [5.3682]
_cell_length_c [5.6275]
_cell_angle_alpha [61.6341]
_cell_angle_beta [89.5525]
_cell_angle_gamma [60.6156]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgVIn2O6]
_chemical_formula_sum '[Mg1 V1 In2 O6]'
_cell_volume [117.2596]
_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  0.1844  0.6198  0.5685  1.0
  V  V1  1  0.6795  0.6296  0.0507  1.0
  In  In2  1  0.4722  0.0524  0.4171  1.0
  In  In3  1  0.9650  0.0635  0.9147  1.0
  O  O4  1  0.0447  0.1633  0.2473  1.0
  O  O5  1  0.3123  0.1248  0.7659  1.0
  O  O6  1  0.4267  0.5399  0.2546  1.0
  O  O7  1  0.5619  0.5455  0.7669  1.0
  O  O8  1  0.8047  0.7865  0.2588  1.0
  O  O9  1  0.8870  0.7979  0.7707  1.0
]