data_[Tm6Al4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5858]
_cell_length_b [4.0704]
_cell_length_c [8.1199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(AlNi2)2]
_chemical_formula_sum '[Tm6 Al4 Ni8]'
_cell_volume [314.3491]
_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  0.1260  0.5000  0.3830  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1776  0.5000  0.7857  1.0
  Ni  Ni3  4  0.0839  0.0000  0.6326  1.0
  Ni  Ni4  4  0.2287  0.5000  0.0875  1.0
]