data_[Tm4Cd4In4Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5706]
_cell_length_b [4.1840]
_cell_length_c [12.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmCdInSe3]
_chemical_formula_sum '[Tm4 Cd4 In4 Se12]'
_cell_volume [660.4384]
_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  0.0313  0.7500  0.1647  1
  Cd  Cd1  4  0.2423  0.2500  0.3133  1
  In  In2  4  0.1537  0.7500  0.5185  1
  Se  Se3  4  0.0284  0.2500  0.3249  1
  Se  Se4  4  0.0884  0.7500  0.9364  1
  Se  Se5  4  0.2449  0.2500  0.6752  1
]