data_[Mg1Nb4V1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2817]
_cell_length_b [5.6541]
_cell_length_c [7.7698]
_cell_angle_alpha [94.3605]
_cell_angle_beta [90.7615]
_cell_angle_gamma [90.0889]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgNb4VO12]
_chemical_formula_sum '[Mg1 Nb4 V1 O12]'
_cell_volume [231.3419]
_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  0.4996  0.8697  0.2953  1.0
  Nb  Nb1  1  0.0031  0.0020  0.0202  1.0
  Nb  Nb2  1  0.0081  0.9901  0.5171  1.0
  Nb  Nb3  1  0.5011  0.4512  0.4950  1.0
  Nb  Nb4  1  0.5047  0.4828  0.9905  1.0
  V  V5  1  0.0008  0.5972  0.7075  1.0
  O  O6  1  0.1307  0.9661  0.2759  1.0
  O  O7  1  0.1749  0.2922  0.5828  1.0
  O  O8  1  0.1981  0.6534  0.9435  1.0
  O  O9  1  0.2870  0.7601  0.5603  1.0
  O  O10  1  0.3015  0.1764  0.9851  1.0
  O  O11  1  0.4098  0.4972  0.2672  1.0
  O  O12  1  0.6382  0.4615  0.7608  1.0
  O  O13  1  0.6703  0.1394  0.4436  1.0
  O  O14  1  0.6931  0.7680  0.0822  1.0
  O  O15  1  0.7844  0.6740  0.4783  1.0
  O  O16  1  0.7933  0.2578  0.0675  1.0
  O  O17  1  0.9131  0.9575  0.7683  1.0
]