data_[Tm2Nb2Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7853]
_cell_length_b [5.3350]
_cell_length_c [7.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TmNbSi2]
_chemical_formula_sum '[Tm2 Nb2 Si4]'
_cell_volume [141.4083]
_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  0.5000  0.3737  0.3262  1.0
  Nb  Nb1  2  0.0000  0.1254  0.6774  1.0
  Si  Si2  2  0.0000  0.3760  0.0396  1.0
  Si  Si3  2  0.5000  0.1098  0.9567  1.0
]