data_[Lu12Co8Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0513]
_cell_length_b [10.1533]
_cell_length_c [13.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Lu3Co2Si3]
_chemical_formula_sum '[Lu12 Co8 Si12]'
_cell_volume [549.5915]
_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  0.0815  0.6118  1.0
  Lu  Lu1  4  0.0000  0.3622  0.7500  1.0
  Co  Co2  8  0.0000  0.2114  0.0853  1.0
  Si  Si3  8  0.0000  0.3814  0.5392  1.0
  Si  Si4  4  0.0000  0.3327  0.2500  1.0
]