data_[Tm2Ni2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [16.6077]
_cell_length_b [4.0797]
_cell_length_c [20.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TmNiI5]
_chemical_formula_sum '[Tm2 Ni2 I10]'
_cell_volume [1356.5487]
_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  0.2500  0.5000  0.5154  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  I  I2  4  0.0612  0.5000  0.5776  1
  I  I3  4  0.1435  0.0000  0.4331  1
  I  I4  2  0.2500  0.0000  0.6254  1
]