data_[Mg1V6H6O18]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1845]
_cell_length_b [8.0758]
_cell_length_c [9.2112]
_cell_angle_alpha [91.0926]
_cell_angle_beta [90.7321]
_cell_angle_gamma [106.7915]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV6(HO3)6]
_chemical_formula_sum '[Mg1 V6 H6 O18]'
_cell_volume [369.0875]
_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  0.8628  0.6393  0.5769  1
  V  V1  1  0.1402  0.0540  0.7471  1
  V  V2  1  0.3220  0.8207  0.0566  1
  V  V3  1  0.3227  0.8516  0.4222  1
  V  V4  1  0.6857  0.1683  0.9536  1
  V  V5  1  0.6911  0.1888  0.5466  1
  V  V6  1  0.8785  0.9203  0.2475  1
  H  H7  1  0.4014  0.5779  0.6550  1
  H  H8  1  0.4278  0.5762  0.2452  1
  H  H9  1  0.5168  0.6098  0.8164  1
  H  H10  1  0.5215  0.4213  0.3406  1
  H  H11  1  0.5244  0.4085  0.1620  1
  H  H12  1  0.5467  0.3654  0.7556  1
  O  O13  1  0.0030  0.2044  0.6169  1
  O  O14  1  0.0056  0.1824  0.8950  1
  O  O15  1  0.1822  0.0581  0.2729  1
  O  O16  1  0.2729  0.6769  0.5352  1
  O  O17  1  0.3479  0.6572  0.9561  1
  O  O18  1  0.3552  0.9925  0.9104  1
  O  O19  1  0.3598  0.0257  0.5759  1
  O  O20  1  0.4259  0.7529  0.2411  1
  O  O21  1  0.4280  0.4440  0.2494  1
  O  O22  1  0.5427  0.5543  0.7213  1
  O  O23  1  0.5606  0.2429  0.7573  1
  O  O24  1  0.6739  0.0020  0.1010  1
  O  O25  1  0.6784  0.0293  0.3923  1
  O  O26  1  0.6815  0.3446  0.0461  1
  O  O27  1  0.6963  0.3897  0.4849  1
  O  O28  1  0.9204  0.7745  0.3884  1
  O  O29  1  0.9267  0.8575  0.7107  1
  O  O30  1  0.9755  0.7871  0.0975  1
]