data_[Lu6Fe8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5097]
_cell_length_b [4.0146]
_cell_length_c [6.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu3(FeSi)4]
_chemical_formula_sum '[Lu6 Fe8 Si8]'
_cell_volume [343.5603]
_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
[
  Lu  Lu0  4  0.1261  0.0000  0.1073  1.0
  Lu  Lu1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  4  0.1714  0.5000  0.8495  1.0
  Fe  Fe3  4  0.1853  0.5000  0.4924  1.0
  Si  Si4  4  0.0025  0.5000  0.1918  1.0
  Si  Si5  4  0.2213  0.0000  0.7414  1.0
]