data_[Lu8P16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7440]
_cell_length_b [9.4970]
_cell_length_c [13.8341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Lu2P4O13]
_chemical_formula_sum '[Lu8 P16 O52]'
_cell_volume [1103.6482]
_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  4  0.0279  0.0034  0.7209  1
  Lu  Lu1  4  0.4464  0.5013  0.2376  1
  P  P2  4  0.1443  0.2397  0.9362  1
  P  P3  4  0.2172  0.2046  0.1576  1
  P  P4  4  0.2875  0.7302  0.8457  1
  P  P5  4  0.4959  0.2498  0.9391  1
  O  O6  4  0.0388  0.1322  0.4116  1
  O  O7  4  0.1102  0.1208  0.8617  1
  O  O8  4  0.1191  0.1281  0.2158  1
  O  O9  4  0.1285  0.1754  0.0400  1
  O  O10  4  0.1370  0.6628  0.8587  1
  O  O11  4  0.2200  0.1320  0.6733  1
  O  O12  4  0.2516  0.6345  0.2790  1
  O  O13  4  0.3279  0.2050  0.4606  1
  O  O14  4  0.3847  0.1474  0.1762  1
  O  O15  4  0.3903  0.6269  0.8086  1
  O  O16  4  0.3921  0.7064  0.4530  1
  O  O17  4  0.4359  0.6237  0.1000  1
  O  O18  4  0.4696  0.1191  0.8754  1
]