data_[Tm12Cu6Hg3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9327]
_cell_length_b [4.9327]
_cell_length_c [24.1291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm4Cu2HgOs]
_chemical_formula_sum '[Tm12 Cu6 Hg3 Os3]'
_cell_volume [508.4349]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1312  1.0
  Tm  Tm1  6  0.0000  0.0000  0.3826  1.0
  Cu  Cu2  6  0.0000  0.0000  0.2517  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
  Os  Os4  3  -0.0000  -0.0000  0.5000  1.0
]