data_[Mg3V12Sb6P18O72]
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
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [8.7516]
_cell_length_b [8.7516]
_cell_length_c [22.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [MgV4Sb2(PO4)6]
_chemical_formula_sum '[Mg3 V12 Sb6 P18 O72]'
_cell_volume [1504.3237]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1
  V  V1  6  0.0000  0.0000  0.1018  1
  V  V2  6  0.0000  0.0000  0.3840  1
  Sb  Sb3  6  0.0000  0.0000  0.2485  1
  P  P4  9  0.0000  0.2978  0.5000  1
  P  P5  9  0.0000  0.7161  0.0000  1
  O  O6  18  0.0114  0.1802  0.1671  1
  O  O7  18  0.0149  0.1992  0.4466  1
  O  O8  18  0.0243  0.8310  0.6782  1
  O  O9  18  0.0274  0.8235  0.0559  1
]