data_[Li4Lu2Si2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Lu  1.2700  1.7500  1.0010
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2610]
_cell_length_b [5.4371]
_cell_length_c [8.3635]
_cell_angle_alpha [106.2441]
_cell_angle_beta [100.5601]
_cell_angle_gamma [102.2678]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LuSiO5]
_chemical_formula_sum '[Li4 Lu2 Si2 O10]'
_cell_volume [216.8012]
_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
[
  Li  Li0  2  0.0374  0.2590  0.9559  1
  Li  Li1  2  0.1992  0.1668  0.4840  1
  Lu  Lu2  2  0.3858  0.7685  0.7580  1
  Si  Si3  2  0.2231  0.6880  0.3254  1
  O  O4  2  0.0331  0.5434  0.8229  1
  O  O5  2  0.1561  0.7855  0.5150  1
  O  O6  2  0.2576  0.9549  0.2640  1
  O  O7  2  0.3656  0.1158  0.9694  1
  O  O8  2  0.4916  0.5824  0.3405  1
]