data_[Tm4Rh4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [7.8328]
_cell_length_b [7.8328]
_cell_length_c [4.4557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [TmRhSe]
_chemical_formula_sum '[Tm4 Rh4 Se4]'
_cell_volume [273.3674]
_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  0.2098  0.3902  0.5000  1
  Rh  Rh1  4  0.1501  0.7298  0.5000  1
  Se  Se2  4  0.0177  0.6997  0.0000  1
]