data_[Tm1Cd8Hg4]
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 [Pmm2]
_cell_length_a [3.3453]
_cell_length_b [4.6561]
_cell_length_c [20.5693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm(Cd2Hg)4]
_chemical_formula_sum '[Tm1 Cd8 Hg4]'
_cell_volume [320.3833]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3379  1
  Cd  Cd1  1  0.0000  0.0000  0.4903  1
  Cd  Cd2  1  0.0000  0.0000  0.7779  1
  Cd  Cd3  1  0.0000  0.5000  0.2322  1
  Cd  Cd4  1  0.0000  0.5000  0.8756  1
  Cd  Cd5  1  0.5000  0.0000  0.2018  1
  Cd  Cd6  1  0.5000  0.0000  0.6340  1
  Cd  Cd7  1  0.5000  0.5000  0.0280  1
  Cd  Cd8  1  0.5000  0.5000  0.7301  1
  Hg  Hg9  1  0.0000  0.0000  0.0807  1
  Hg  Hg10  1  0.0000  0.5000  0.5801  1
  Hg  Hg11  1  0.5000  0.0000  0.9276  1
  Hg  Hg12  1  0.5000  0.5000  0.4067  1
]