data_[Tm6Si4Ni8]
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 [C2/m]
_cell_length_a [10.0084]
_cell_length_b [4.0520]
_cell_length_c [7.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(SiNi2)2]
_chemical_formula_sum '[Tm6 Si4 Ni8]'
_cell_volume [300.8395]
_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  0.1341  0.5000  0.6932  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1590  0.5000  0.3210  1.0
  Ni  Ni3  4  0.1052  0.0000  0.4259  1.0
  Ni  Ni4  4  0.2239  0.5000  0.0690  1.0
]