data_[Mg1V4P2O13]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9805]
_cell_length_b [5.2445]
_cell_length_c [8.8837]
_cell_angle_alpha [91.5156]
_cell_angle_beta [99.0295]
_cell_angle_gamma [101.4082]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4P2O13]
_chemical_formula_sum '[Mg1 V4 P2 O13]'
_cell_volume [224.2445]
_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  0.3618  0.7207  0.7904  1.0
  V  V1  1  0.4392  0.5192  0.0853  1.0
  V  V2  1  0.6061  0.2751  0.7099  1.0
  V  V3  1  0.7550  0.0517  0.3128  1.0
  V  V4  1  0.9075  0.8413  0.6256  1.0
  P  P5  1  0.2508  0.5788  0.4174  1.0
  P  P6  1  0.9805  0.9702  0.9950  1.0
  O  O7  1  0.0214  0.7415  0.4286  1.0
  O  O8  1  0.0874  0.2579  0.0417  1.0
  O  O9  1  0.1249  0.2959  0.3640  1.0
  O  O10  1  0.2057  0.8111  0.9823  1.0
  O  O11  1  0.2567  0.0312  0.6898  1.0
  O  O12  1  0.4307  0.7093  0.2981  1.0
  O  O13  1  0.4501  0.5846  0.5753  1.0
  O  O14  1  0.5289  0.4510  0.8911  1.0
  O  O15  1  0.5978  0.2620  0.2131  1.0
  O  O16  1  0.7159  0.0825  0.5262  1.0
  O  O17  1  0.7802  0.9609  0.8317  1.0
  O  O18  1  0.7967  0.8472  0.1143  1.0
  O  O19  1  0.9495  0.5407  0.7069  1.0
]