data_[Tm4Hg4Se4O4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4832]
_cell_length_b [7.0311]
_cell_length_c [6.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TmHgSeO]
_chemical_formula_sum '[Tm4 Hg4 Se4 O4]'
_cell_volume [353.2625]
_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  4  0.4562  0.1408  0.8072  1
  Hg  Hg1  4  0.0066  0.1916  0.9925  1
  Se  Se2  4  0.2407  0.0229  0.4497  1
  O  O3  4  0.4460  0.6534  0.3956  1
]