data_[Sr6Fe6Sn6P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  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 [R-3]
_cell_length_a [8.2861]
_cell_length_b [8.2861]
_cell_length_c [22.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrFeSn(PO4)3]
_chemical_formula_sum '[Sr6 Fe6 Sn6 P18 O72]'
_cell_volume [1365.1819]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  3  -0.0000  0.0000  0.5000  1
  Sr  Sr1  3  0.0000  0.0000  0.0000  1
  Fe  Fe2  6  0.0000  0.0000  0.1516  1
  Sn  Sn3  6  0.0000  0.0000  0.3528  1
  P  P4  18  0.0041  0.7111  0.7517  1
  O  O5  18  0.0073  0.7940  0.6911  1
  O  O6  18  0.0420  0.2046  0.5869  1
  O  O7  18  0.0751  0.2253  0.1990  1
  O  O8  18  0.0820  0.2120  0.9060  1
]