data_[Mn6V6O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [5.8527]
_cell_length_b [5.8527]
_cell_length_c [11.0425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [MnVO3]
_chemical_formula_sum '[Mn6 V6 O18]'
_cell_volume [327.5766]
_cell_formula_units_Z [6]
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  6  0.0000  0.3324  0.0001  1
  V  V1  4  0.3333  0.6667  0.2680  1
  V  V2  2  0.0000  0.0000  0.2286  1
  O  O3  6  0.0000  0.2996  0.8276  1
  O  O4  6  0.0000  0.3688  0.1726  1
  O  O5  4  0.3333  0.6667  0.9678  1
  O  O6  2  0.0000  0.0000  0.0387  1
]