data_[Tm4Ta2B4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6339]
_cell_length_b [9.6339]
_cell_length_c [3.1146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tm2TaB2Ru5]
_chemical_formula_sum '[Tm4 Ta2 B4 Ru10]'
_cell_volume [289.0775]
_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  0.1750  0.3250  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  B  B2  4  0.1206  0.6206  0.0000  1
  Ru  Ru3  8  0.0712  0.7823  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]