data_[Tm16Hg4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3128]
_cell_length_b [13.6853]
_cell_length_c [6.1074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4HgC]
_chemical_formula_sum '[Tm16 Hg4 C4]'
_cell_volume [600.7182]
_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  0.1377  0.2008  0.1458  1
  Tm  Tm1  8  0.2132  0.9508  0.1886  1
  Hg  Hg2  4  0.0000  0.3842  0.7500  1
  C  C3  4  0.0000  0.0697  0.2500  1
]