data_[K8Lu4Si16O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [11.6851]
_cell_length_b [8.6250]
_cell_length_c [11.8301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2LuSi4O11]
_chemical_formula_sum '[K8 Lu4 Si16 O44]'
_cell_volume [1105.5594]
_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
[
  K  K0  2  0.0105  0.7500  0.0253  1
  K  K1  2  0.0877  0.2500  0.5808  1
  K  K2  2  0.4441  0.7500  0.0590  1
  K  K3  2  0.4710  0.2500  0.5382  1
  Lu  Lu4  4  0.2886  0.0026  0.2084  1
  Si  Si5  4  0.0119  0.0715  0.2571  1
  Si  Si6  4  0.2203  0.5711  0.4664  1
  Si  Si7  4  0.2480  0.0684  0.8839  1
  Si  Si8  4  0.3919  0.5631  0.7323  1
  O  O9  4  0.0905  0.0443  0.1735  1
  O  O10  4  0.0928  0.0342  0.4035  1
  O  O11  4  0.1084  0.0458  0.7779  1
  O  O12  4  0.2536  0.0273  0.0167  1
  O  O13  4  0.2765  0.5035  0.6076  1
  O  O14  4  0.3153  0.5564  0.3989  1
  O  O15  4  0.3482  0.5373  0.8491  1
  O  O16  4  0.4854  0.5315  0.2504  1
  O  O17  2  0.0410  0.7500  0.7495  1
  O  O18  2  0.1702  0.7500  0.4698  1
  O  O19  2  0.2571  0.7500  0.1683  1
  O  O20  2  0.2860  0.2500  0.8671  1
  O  O21  2  0.3252  0.2500  0.2585  1
  O  O22  2  0.4086  0.7500  0.7203  1
]