data_[V18Re3Mo36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0172]
_cell_length_b [12.0172]
_cell_length_c [7.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V6ReMo12]
_chemical_formula_sum '[V18 Re3 Mo36]'
_cell_volume [880.2251]
_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
[
  V  V0  18  0.0333  0.2622  0.3243  1
  Re  Re1  3  0.0000  0.0000  0.0000  1
  Mo  Mo2  18  0.0180  0.1422  0.6706  1
  Mo  Mo3  18  0.0630  0.5885  0.6696  1
]