data_[Tm8Mg2Ni8]
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 [P4_2/n]
_cell_length_a [8.3172]
_cell_length_b [8.3172]
_cell_length_c [5.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Tm4MgNi4]
_chemical_formula_sum '[Tm8 Mg2 Ni8]'
_cell_volume [369.6187]
_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  8  0.0701  0.3027  0.6200  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1279  0.2567  0.1270  1
]