data_[Tm3W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4162]
_cell_length_b [5.4912]
_cell_length_c [5.5021]
_cell_angle_alpha [72.4739]
_cell_angle_beta [84.1960]
_cell_angle_gamma [63.5112]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm3WO6]
_chemical_formula_sum '[Tm3 W1 O6]'
_cell_volume [139.5557]
_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
[
  Tm  Tm0  2  0.3560  0.8081  0.5283  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  W  W2  1  0.0000  0.5000  0.5000  1
  O  O3  2  0.0125  0.2188  0.2832  1
  O  O4  2  0.2995  0.6007  0.2687  1
  O  O5  2  0.3060  0.1130  0.7268  1
]