data_[Tm16Mg4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5406]
_cell_length_b [10.3164]
_cell_length_c [7.1713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tm4MgNi2]
_chemical_formula_sum '[Tm16 Mg4 Ni8]'
_cell_volume [668.3793]
_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  0.0051  0.3941  0.7472  1
  Tm  Tm1  4  0.1024  0.8838  0.2377  1
  Tm  Tm2  4  0.1878  0.6665  0.6089  1
  Tm  Tm3  4  0.2425  0.5741  0.1214  1
  Mg  Mg4  2  0.0000  0.1266  0.5000  1
  Mg  Mg5  2  0.0000  0.1589  0.0000  1
  Ni  Ni6  4  0.0049  0.6494  0.8151  1
  Ni  Ni7  4  0.2383  0.8142  0.9432  1
]