data_[Tm4Si12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8986]
_cell_length_b [20.9377]
_cell_length_c [3.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TmSi3Ni]
_chemical_formula_sum '[Tm4 Si12 Ni4]'
_cell_volume [320.5146]
_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  0.0000  0.1688  0.0000  1.0
  Si  Si1  4  0.0000  0.0561  0.5000  1.0
  Si  Si2  4  0.0000  0.2822  0.5000  1.0
  Si  Si3  4  0.0000  0.4437  0.0000  1.0
  Ni  Ni4  4  0.0000  0.3890  0.5000  1.0
]