data_[Tm6Cu2Si8]
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 [Immm]
_cell_length_a [4.2016]
_cell_length_b [5.5816]
_cell_length_c [14.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3CuSi4]
_chemical_formula_sum '[Tm6 Cu2 Si8]'
_cell_volume [336.3966]
_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  0.0000  0.0000  0.1940  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Si  Si2  8  0.0000  0.2122  0.3806  1
  Cu  Cu3  2  0.0000  0.5000  0.5000  1
]