data_[Tm4Cd24Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7334]
_cell_length_b [6.5966]
_cell_length_c [9.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Cd12Hg5]
_chemical_formula_sum '[Tm4 Cd24 Hg10]'
_cell_volume [984.6054]
_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  0.2549  0.0000  1
  Cd  Cd1  8  0.1421  0.2548  0.6180  1
  Cd  Cd2  8  0.2064  0.2271  0.1287  1
  Cd  Cd3  4  0.0286  0.5000  0.3405  1
  Cd  Cd4  4  0.0932  0.0000  0.2811  1
  Hg  Hg5  4  0.1290  0.5000  0.8860  1
  Hg  Hg6  4  0.2104  0.5000  0.3958  1
  Hg  Hg7  2  0.0000  0.0000  0.5000  1
]