data_[Lu4Al6Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0067]
_cell_length_b [3.9911]
_cell_length_c [6.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2Al3Si2]
_chemical_formula_sum '[Lu4 Al6 Si4]'
_cell_volume [257.5276]
_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  0.1195  0.5000  0.3235  1.0
  Al  Al1  4  0.1955  0.5000  0.8671  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0946  0.0000  0.6387  1.0
]