data_[Fe9Cu6Sn3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6575]
_cell_length_b [8.6575]
_cell_length_c [21.0875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Fe3Cu2Sn(PO4)6]
_chemical_formula_sum '[Fe9 Cu6 Sn3 P18 O72]'
_cell_volume [1368.7933]
_cell_formula_units_Z [3]
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
[
  Fe  Fe0  3  0.0000  0.0000  0.1449  1
  Fe  Fe1  3  0.0000  0.0000  0.3553  1
  Fe  Fe2  3  0.0000  0.0000  0.6441  1
  Cu  Cu3  3  0.0000  0.0000  0.0042  1
  Cu  Cu4  3  0.0000  0.0000  0.4997  1
  Sn  Sn5  3  0.0000  0.0000  0.8564  1
  P  P6  9  0.0038  0.2940  0.2497  1
  P  P7  9  0.0364  0.6670  0.4155  1
  O  O8  9  0.0005  0.8046  0.6899  1
  O  O9  9  0.0035  0.1978  0.3101  1
  O  O10  9  0.0172  0.8362  0.4219  1
  O  O11  9  0.0196  0.1852  0.9236  1
  O  O12  9  0.1305  0.6678  0.4772  1
  O  O13  9  0.1368  0.4699  0.8562  1
  O  O14  9  0.1696  0.6841  0.7440  1
  O  O15  9  0.1714  0.4842  0.2437  1
]