data_[Tm16Hg2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1168]
_cell_length_b [15.6062]
_cell_length_c [6.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tm8HgOs2]
_chemical_formula_sum '[Tm16 Hg2 Os4]'
_cell_volume [548.6209]
_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  0.0000  0.1109  0.8128  1
  Tm  Tm1  4  0.0000  0.2899  0.4939  1
  Tm  Tm2  4  0.0000  0.3342  0.9524  1
  Tm  Tm3  2  0.0000  0.0000  0.3671  1
  Tm  Tm4  2  0.0000  0.5000  0.5830  1
  Hg  Hg5  2  0.0000  0.5000  0.1601  1
  Os  Os6  4  0.0000  0.1690  0.1863  1
]