data_[Tm8Cd2Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1629]
_cell_length_b [3.9451]
_cell_length_c [12.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm4CdSe7]
_chemical_formula_sum '[Tm8 Cd2 Se14]'
_cell_volume [605.7392]
_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  2  0.1841  0.5000  0.7883  1.0
  Tm  Tm1  2  0.2974  0.0000  0.1878  1.0
  Tm  Tm2  2  0.3901  0.5000  0.5732  1.0
  Tm  Tm3  2  0.4923  0.5000  0.0027  1.0
  Cd  Cd4  2  0.1179  0.0000  0.4184  1.0
  Se  Se5  2  0.0262  0.5000  0.5355  1.0
  Se  Se6  2  0.0344  0.0000  0.7898  1.0
  Se  Se7  2  0.1534  0.5000  0.0460  1.0
  Se  Se8  2  0.2491  0.5000  0.3500  1.0
  Se  Se9  2  0.2646  0.0000  0.6449  1.0
  Se  Se10  2  0.3325  0.0000  0.9451  1.0
  Se  Se11  2  0.4579  0.5000  0.2183  1.0
]