data_[Tl8Ni14P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6815]
_cell_length_b [14.2331]
_cell_length_c [6.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl4Ni7(PO4)6]
_chemical_formula_sum '[Tl8 Ni14 P12 O48]'
_cell_volume [985.0297]
_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
[
  Tl  Tl0  4  0.1204  0.3879  0.5323  1
  Tl  Tl1  2  0.3043  0.0000  0.5052  1
  Tl  Tl2  2  0.4166  0.5000  0.4788  1
  Ni  Ni3  4  0.0023  0.3800  0.0098  1
  Ni  Ni4  4  0.1729  0.1902  0.8241  1
  Ni  Ni5  4  0.3338  0.3034  0.1854  1
  Ni  Ni6  2  0.4989  0.5000  0.9990  1
  P  P7  4  0.0921  0.1922  0.2747  1
  P  P8  4  0.4160  0.2996  0.7321  1
  P  P9  2  0.2000  0.5000  0.0084  1
  P  P10  2  0.3049  0.0000  0.0118  1
  O  O11  4  0.0069  0.1133  0.8008  1
  O  O12  4  0.0135  0.2853  0.7844  1
  O  O13  4  0.1530  0.1817  0.5041  1
  O  O14  4  0.1952  0.2029  0.1461  1
  O  O15  4  0.1989  0.4087  0.1400  1
  O  O16  4  0.3103  0.0899  0.8781  1
  O  O17  4  0.3123  0.2907  0.8612  1
  O  O18  4  0.3522  0.3077  0.5031  1
  O  O19  4  0.4956  0.3904  0.2020  1
  O  O20  4  0.4975  0.2196  0.2269  1
  O  O21  2  0.0610  0.5000  0.8612  1
  O  O22  2  0.1893  0.0000  0.1052  1
  O  O23  2  0.3065  0.5000  0.8939  1
  O  O24  2  0.4376  0.0000  0.1736  1
]