data_[Tm8Se6O8]
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 [Amm2]
_cell_length_a [8.2366]
_cell_length_b [3.7983]
_cell_length_c [12.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tm4Se3O4]
_chemical_formula_sum '[Tm8 Se6 O8]'
_cell_volume [386.1879]
_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  4  0.2418  0.0000  0.6796  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0091  1.0
  Tm  Tm2  2  0.5000  0.0000  0.0179  1.0
  Se  Se3  4  0.3449  0.0000  0.3530  1.0
  Se  Se4  2  0.0000  0.0000  0.3242  1.0
  O  O5  4  0.2463  0.0000  0.0861  1.0
  O  O6  2  0.0000  0.0000  0.5965  1.0
  O  O7  2  0.5000  0.0000  0.6141  1.0
]