data_[Y3Tm6Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6747]
_cell_length_b [5.6747]
_cell_length_c [15.0265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YTm2MoO6]
_chemical_formula_sum '[Y3 Tm6 Mo3 O18]'
_cell_volume [419.0612]
_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
[
  Y  Y0  3  0.0000  0.0000  0.1931  1.0
  Tm  Tm1  3  0.0000  0.0000  0.4735  1.0
  Tm  Tm2  3  0.0000  0.0000  0.9799  1.0
  Mo  Mo3  3  0.0000  0.0000  0.6823  1.0
  O  O4  9  0.0023  0.7113  0.5861  1.0
  O  O5  9  0.0370  0.3626  0.7505  1.0
]