data_[Tm2Zr4Al6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6063]
_cell_length_b [11.9245]
_cell_length_c [6.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TmZr2(AlNi)3]
_chemical_formula_sum '[Tm2 Zr4 Al6 Ni6]'
_cell_volume [296.6507]
_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  0.0000  0.0000  0.4140  1
  Zr  Zr1  4  0.0000  0.2073  0.7939  1
  Al  Al2  4  0.5000  0.1247  0.1194  1
  Al  Al3  2  0.5000  0.0000  0.7585  1
  Ni  Ni4  4  0.5000  0.1708  0.5026  1
  Ni  Ni5  2  0.0000  0.0000  0.9959  1
]