data_[Ta4Ag4P16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.2082]
_cell_length_b [8.4129]
_cell_length_c [18.0507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TaAgP4O13]
_chemical_formula_sum '[Ta4 Ag4 P16 O52]'
_cell_volume [1094.6289]
_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
[
  Ta  Ta0  4  0.2385  0.2738  0.7109  1
  Ag  Ag1  4  0.2057  0.7228  0.4849  1
  P  P2  4  0.0731  0.3180  0.4248  1
  P  P3  4  0.0790  0.8889  0.9269  1
  P  P4  4  0.0966  0.3462  0.1716  1
  P  P5  4  0.0972  0.8950  0.6665  1
  O  O6  4  0.0060  0.7782  0.9936  1
  O  O7  4  0.0349  0.3322  0.6400  1
  O  O8  4  0.0667  0.3445  0.0904  1
  O  O9  4  0.0746  0.7971  0.2811  1
  O  O10  4  0.0778  0.0611  0.9423  1
  O  O11  4  0.0806  0.3323  0.7939  1
  O  O12  4  0.0900  0.7776  0.1265  1
  O  O13  4  0.0927  0.8998  0.5848  1
  O  O14  4  0.1421  0.0557  0.7056  1
  O  O15  4  0.1611  0.4751  0.4172  1
  O  O16  4  0.1639  0.5073  0.2046  1
  O  O17  4  0.2127  0.1713  0.4129  1
  O  O18  4  0.2478  0.2216  0.2012  1
]