data_[Ho11Te16Cl1O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5668]
_cell_length_b [11.9904]
_cell_length_c [18.6224]
_cell_angle_alpha [100.6750]
_cell_angle_beta [95.8901]
_cell_angle_gamma [99.8154]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho11Te16ClO48]
_chemical_formula_sum '[Ho11 Te16 Cl1 O48]'
_cell_volume [1191.9976]
_cell_formula_units_Z [1]
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
[
  Ho  Ho0  2  0.0834  0.8862  0.1863  1
  Ho  Ho1  2  0.1314  0.5697  0.7294  1
  Ho  Ho2  2  0.2813  0.2152  0.2944  1
  Ho  Ho3  2  0.2833  0.1038  0.4778  1
  Ho  Ho4  2  0.4429  0.3193  0.7775  1
  Ho  Ho5  1  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0694  0.4482  0.8902  1
  Te  Te7  2  0.1652  0.6834  0.5640  1
  Te  Te8  2  0.2055  0.0063  0.6610  1
  Te  Te9  2  0.2097  0.7910  0.3817  1
  Te  Te10  2  0.2288  0.3257  0.1189  1
  Te  Te11  2  0.3531  0.8865  0.8347  1
  Te  Te12  2  0.4901  0.4453  0.6077  1
  Te  Te13  2  0.4919  0.8047  0.0499  1
  Cl  Cl14  1  0.5000  0.5000  0.0000  1
  O  O15  2  0.0020  0.3089  0.3514  1
  O  O16  2  0.0198  0.2315  0.4883  1
  O  O17  2  0.0702  0.6484  0.9283  1
  O  O18  2  0.0897  0.9231  0.7749  1
  O  O19  2  0.0993  0.0513  0.5715  1
  O  O20  2  0.1098  0.3123  0.2107  1
  O  O21  2  0.1281  0.0753  0.3521  1
  O  O22  2  0.1475  0.2913  0.8542  1
  O  O23  2  0.1502  0.1420  0.7265  1
  O  O24  2  0.1843  0.1621  0.0788  1
  O  O25  2  0.1867  0.5459  0.3465  1
  O  O26  2  0.2010  0.0855  0.9117  1
  O  O27  2  0.2034  0.5529  0.1825  1
  O  O28  2  0.2912  0.4950  0.8244  1
  O  O29  2  0.3022  0.9190  0.0424  1
  O  O30  2  0.3088  0.3936  0.6809  1
  O  O31  2  0.3413  0.8014  0.2909  1
  O  O32  2  0.3778  0.7815  0.1398  1
  O  O33  2  0.3950  0.0402  0.2129  1
  O  O34  2  0.3967  0.9346  0.4373  1
  O  O35  2  0.3999  0.7433  0.7789  1
  O  O36  2  0.4436  0.6030  0.6565  1
  O  O37  2  0.4457  0.8041  0.6001  1
  O  O38  2  0.4709  0.7320  0.4337  1
]