data_[Tm20Co4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8467]
_cell_length_b [6.6832]
_cell_length_c [11.0404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5CoHg]
_chemical_formula_sum '[Tm20 Co4 Hg4]'
_cell_volume [741.6625]
_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  0.1213  0.3258  0.0408  1
  Tm  Tm1  8  0.2235  0.1715  0.6358  1
  Tm  Tm2  4  0.0000  0.0041  0.2500  1
  Co  Co3  4  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.4764  0.7500  1
]