data_[Tm2Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3006]
_cell_length_b [7.1530]
_cell_length_c [6.2347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmSeO4]
_chemical_formula_sum '[Tm2 Se2 O8]'
_cell_volume [180.3583]
_cell_formula_units_Z [2]
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  0.0556  0.7500  0.6465  1.0
  Se  Se1  2  0.1410  0.2500  0.8987  1.0
  O  O2  4  0.0722  0.0726  0.6919  1.0
  O  O3  2  0.2133  0.7500  0.0379  1.0
  O  O4  2  0.4004  0.2500  0.2526  1.0
]