data_[Mg1V2P2O10]
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 [5.2661]
_cell_length_b [5.3925]
_cell_length_c [7.0357]
_cell_angle_alpha [107.4300]
_cell_angle_beta [107.3332]
_cell_angle_gamma [97.1809]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV2(PO5)2]
_chemical_formula_sum '[Mg1 V2 P2 O10]'
_cell_volume [176.8588]
_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  0.2534  0.1231  0.7261  1.0
  V  V1  1  0.0010  0.5207  0.0135  1.0
  V  V2  1  0.9978  0.4932  0.5014  1.0
  P  P3  1  0.3356  0.1369  0.2503  1.0
  P  P4  1  0.6760  0.8687  0.7506  1.0
  O  O5  1  0.0925  0.4411  0.7568  1.0
  O  O6  1  0.1651  0.1863  0.4022  1.0
  O  O7  1  0.2392  0.2477  0.0658  1.0
  O  O8  1  0.3094  0.8342  0.1524  1.0
  O  O9  1  0.3687  0.7643  0.6051  1.0
  O  O10  1  0.6345  0.2734  0.3924  1.0
  O  O11  1  0.6816  0.1723  0.8479  1.0
  O  O12  1  0.7441  0.7264  0.9109  1.0
  O  O13  1  0.8809  0.8378  0.6281  1.0
  O  O14  1  0.9328  0.5490  0.2467  1.0
]