data_[Tm18V6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.3109]
_cell_length_b [9.3109]
_cell_length_c [10.7000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm3VO6]
_chemical_formula_sum '[Tm18 V6 O36]'
_cell_volume [803.3386]
_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
[
  Tm  Tm0  18  0.0423  0.7751  0.7032  1
  V  V1  3  0.0000  0.0000  0.0000  1
  V  V2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0274  0.8195  0.9027  1
  O  O4  18  0.0280  0.8424  0.3812  1
]