data_[Tm16Sb4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0805]
_cell_length_b [14.6641]
_cell_length_c [6.6972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4SbSe]
_chemical_formula_sum '[Tm16 Sb4 Se4]'
_cell_volume [673.6032]
_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  0.0974  0.2841  0.0712  1
  Tm  Tm1  8  0.2371  0.0606  0.2643  1
  Sb  Sb2  4  0.0000  0.1096  0.7500  1
  Se  Se3  4  0.0000  0.4383  0.2500  1
]