data_[Tm2Si2H2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.3640]
_cell_length_b [5.0103]
_cell_length_c [8.4401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [TmSiHO4]
_chemical_formula_sum '[Tm2 Si2 H2 O8]'
_cell_volume [159.6633]
_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  0.9867  0.0939  0.2747  1
  Si  Si1  2  0.7705  0.4127  0.5065  1
  H  H2  2  0.4748  0.3077  0.6492  1
  O  O3  2  0.1413  0.2704  0.5441  1
  O  O4  2  0.4906  0.2521  0.3196  1
  O  O5  2  0.7302  0.2679  0.0106  1
  O  O6  2  0.7642  0.3066  0.6941  1
]