data_[Tm12Si12Os8]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1590]
_cell_length_b [10.5832]
_cell_length_c [13.5615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Si3Os2]
_chemical_formula_sum '[Tm12 Si12 Os8]'
_cell_volume [596.9224]
_cell_formula_units_Z [4]
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  8  0.0000  0.0754  0.6159  1.0
  Tm  Tm1  4  0.0000  0.3583  0.7500  1.0
  Si  Si2  8  0.0000  0.3845  0.5382  1.0
  Si  Si3  4  0.0000  0.3287  0.2500  1.0
  Os  Os4  8  0.0000  0.2126  0.0824  1.0
]