data_[Tm4Hf4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3418]
_cell_length_b [4.5509]
_cell_length_c [6.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmHfTc]
_chemical_formula_sum '[Tm4 Hf4 Tc4]'
_cell_volume [279.3245]
_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  0.1273  0.7500  0.0153  1
  Hf  Hf1  4  0.1195  0.7500  0.5155  1
  Tc  Tc2  4  0.1252  0.2500  0.2755  1
]