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 [P-1]
_cell_length_a [4.9096]
_cell_length_b [6.3456]
_cell_length_c [6.3764]
_cell_angle_alpha [88.3143]
_cell_angle_beta [88.3461]
_cell_angle_gamma [88.8818]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgV2(PO5)2]
_chemical_formula_sum '[Mg1 V2 P2 O10]'
_cell_volume [198.4492]
_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  0.5000  0.5000  0.0000  1.0
  V  V1  2  0.2544  0.2453  0.7399  1.0
  P  P2  2  0.0042  0.2504  0.2495  1.0
  O  O3  2  0.1474  0.9565  0.7575  1.0
  O  O4  2  0.1568  0.2798  0.4514  1.0
  O  O5  2  0.2091  0.5664  0.7784  1.0
  O  O6  2  0.2167  0.2661  0.0637  1.0
  O  O7  2  0.4105  0.7339  0.2406  1.0
]