data_[Lu12Si12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0949]
_cell_length_b [9.9372]
_cell_length_c [13.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Lu3Si3Ni2]
_chemical_formula_sum '[Lu12 Si12 Ni8]'
_cell_volume [553.1908]
_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
[
  Lu  Lu0  8  0.0000  0.4136  0.6103  1
  Lu  Lu1  4  0.0000  0.1329  0.7500  1
  Si  Si2  8  0.0000  0.1184  0.5380  1
  Si  Si3  4  0.0000  0.1663  0.2500  1
  Ni  Ni4  8  0.0000  0.2959  0.0966  1
]