data_[Mg2V6P8O28]
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 [P2_1/c]
_cell_length_a [7.4571]
_cell_length_b [7.7355]
_cell_length_c [9.5519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgV3(P2O7)2]
_chemical_formula_sum '[Mg2 V6 P8 O28]'
_cell_volume [512.0113]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1
  V  V1  4  0.1897  0.6286  0.0232  1
  V  V2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.1367  0.2079  0.3155  1
  P  P4  4  0.4080  0.5716  0.7918  1
  O  O5  4  0.0190  0.2193  0.1460  1
  O  O6  4  0.0375  0.0883  0.3926  1
  O  O7  4  0.2019  0.1218  0.9022  1
  O  O8  4  0.2815  0.6168  0.6246  1
  O  O9  4  0.3320  0.1130  0.3263  1
  O  O10  4  0.3859  0.7037  0.9036  1
  O  O11  4  0.3916  0.0268  0.7034  1
]