data_[Mn2V4P4H16O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.3565]
_cell_length_b [6.3565]
_cell_length_c [13.6770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [MnV2P2(H4O7)2]
_chemical_formula_sum '[Mn2 V4 P4 H16 O28]'
_cell_volume [552.6272]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1
  V  V1  4  0.0000  0.0000  0.2776  1
  P  P2  4  0.0000  0.5000  0.2500  1
  H  H3  16  0.1213  0.6778  0.4411  1
  O  O4  16  0.0157  0.6957  0.6823  1
  O  O5  8  0.1879  0.2893  0.0000  1
  O  O6  4  0.0000  0.0000  0.1573  1
]