data_[Tm12V4O24]
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 [Cmc2_1]
_cell_length_a [8.8348]
_cell_length_b [10.7268]
_cell_length_c [5.4416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3VO6]
_chemical_formula_sum '[Tm12 V4 O24]'
_cell_volume [515.6974]
_cell_formula_units_Z [4]
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  8  0.2050  0.1157  0.0334  1.0
  Tm  Tm1  4  0.0000  0.3968  0.0871  1.0
  V  V2  4  0.0000  0.1517  0.5206  1.0
  O  O3  8  0.1507  0.2504  0.3327  1.0
  O  O4  8  0.1593  0.4846  0.8105  1.0
  O  O5  4  0.0000  0.0154  0.2083  1.0
  O  O6  4  0.0000  0.2222  0.8455  1.0
]