data_[Tm4Pd4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4160]
_cell_length_b [4.2766]
_cell_length_c [10.7733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmPdSe]
_chemical_formula_sum '[Tm4 Pd4 Se4]'
_cell_volume [331.3850]
_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  0.0919  0.0000  0.7890  1
  Pd  Pd1  4  0.1879  0.0000  0.0603  1
  Se  Se2  4  0.2179  0.5000  0.6736  1
]