data_[Sn24P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R3c]
_cell_length_a [9.8226]
_cell_length_b [9.8226]
_cell_length_c [25.4548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Sn4(PO4)3]
_chemical_formula_sum '[Sn24 P18 O72]'
_cell_volume [2126.9402]
_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
[
  Sn  Sn0  18  0.0612  0.4721  0.3409  1
  Sn  Sn1  6  0.0000  0.0000  0.8174  1
  P  P2  18  0.1242  0.3431  0.5488  1
  O  O3  18  0.0273  0.8370  0.3662  1
  O  O4  18  0.0395  0.4628  0.6725  1
  O  O5  18  0.1142  0.3942  0.2210  1
  O  O6  18  0.1473  0.3483  0.1029  1
]