data_[Tm4Nb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2738]
_cell_length_b [3.9180]
_cell_length_c [7.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2NbSe4]
_chemical_formula_sum '[Tm4 Nb2 Se8]'
_cell_volume [345.7535]
_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  4  0.2396  0.5000  0.7246  1
  Nb  Nb1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1134  0.0000  0.4318  1
  Se  Se3  4  0.1242  0.5000  0.9647  1
]