data_[K12Lu4Si12O36]
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 [Pmn2_1]
_cell_length_a [14.1171]
_cell_length_b [5.8678]
_cell_length_c [13.0099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3Lu(SiO3)3]
_chemical_formula_sum '[K12 Lu4 Si12 O36]'
_cell_volume [1077.7016]
_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  4  0.2352  0.6589  0.1262  1
  K  K1  2  0.0000  0.1429  0.8361  1
  K  K2  2  0.0000  0.3038  0.1071  1
  K  K3  2  0.0000  0.6544  0.6215  1
  K  K4  2  0.0000  0.8561  0.3484  1
  Lu  Lu5  4  0.2430  0.1448  0.9593  1
  Si  Si6  4  0.1118  0.6548  0.8825  1
  Si  Si7  4  0.1159  0.3490  0.4201  1
  Si  Si8  4  0.2330  0.1701  0.2437  1
  O  O9  4  0.1310  0.4078  0.9344  1
  O  O10  4  0.1313  0.8731  0.9550  1
  O  O11  4  0.1450  0.5940  0.4691  1
  O  O12  4  0.1466  0.3288  0.2958  1
  O  O13  4  0.1491  0.1274  0.4845  1
  O  O14  4  0.1668  0.6844  0.7681  1
  O  O15  4  0.2128  0.1745  0.1220  1
  O  O16  4  0.2357  0.9190  0.2942  1
  O  O17  2  0.0000  0.3504  0.4072  1
  O  O18  2  0.0000  0.6577  0.8378  1
]