data_[Hf1Mg2V1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1769]
_cell_length_b [5.2040]
_cell_length_c [5.5408]
_cell_angle_alpha [62.1424]
_cell_angle_beta [62.6219]
_cell_angle_gamma [60.4257]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfMg2VO6]
_chemical_formula_sum '[Hf1 Mg2 V1 O6]'
_cell_volume [109.5593]
_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
[
  Hf  Hf0  1  0.8197  0.8075  0.5643  1.0
  Mg  Mg1  1  0.0294  0.0163  0.9302  1.0
  Mg  Mg2  1  0.5269  0.5269  0.4260  1.0
  V  V3  1  0.3206  0.3192  0.0528  1.0
  O  O4  1  0.1122  0.4219  0.7665  1.0
  O  O5  1  0.2043  0.9451  0.2545  1.0
  O  O6  1  0.4258  0.7034  0.7586  1.0
  O  O7  1  0.5796  0.2158  0.2510  1.0
  O  O8  1  0.7023  0.1083  0.7609  1.0
  O  O9  1  0.9409  0.5972  0.2503  1.0
]