data_[Tm1V2O6]
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 [P1]
_cell_length_a [3.7377]
_cell_length_b [5.1881]
_cell_length_c [6.6217]
_cell_angle_alpha [69.8109]
_cell_angle_beta [73.6996]
_cell_angle_gamma [68.8742]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmV2O6]
_chemical_formula_sum '[Tm1 V2 O6]'
_cell_volume [110.6118]
_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  1  0.9755  0.0267  0.0272  1.0
  V  V1  1  0.1802  0.2621  0.3836  1.0
  V  V2  1  0.7984  0.7399  0.6252  1.0
  O  O3  1  0.0316  0.6399  0.3053  1.0
  O  O4  1  0.3026  0.8228  0.5762  1.0
  O  O5  1  0.3491  0.2015  0.1057  1.0
  O  O6  1  0.6600  0.8134  0.8756  1.0
  O  O7  1  0.7332  0.1346  0.4047  1.0
  O  O8  1  0.9693  0.3591  0.6964  1.0
]