data_[Tm2Cu8Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9409]
_cell_length_b [12.9166]
_cell_length_c [3.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm(Cu2Si)2]
_chemical_formula_sum '[Tm2 Cu8 Si4]'
_cell_volume [201.1550]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.1868  0.5000  1.0
  Cu  Cu2  4  0.0000  0.3139  0.0000  1.0
  Si  Si3  4  0.0000  0.4089  0.5000  1.0
]