data_[Cr3Fe9Sn6P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [R3]
_cell_length_a [8.6677]
_cell_length_b [8.6677]
_cell_length_c [21.7830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CrFe3Sn2(PO4)6]
_chemical_formula_sum '[Cr3 Fe9 Sn6 P18 O72]'
_cell_volume [1417.2929]
_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
[
  Cr  Cr0  3  0.0000  0.0000  0.8551  1
  Fe  Fe1  3  0.0000  0.0000  0.1486  1
  Fe  Fe2  3  0.0000  0.0000  0.3506  1
  Fe  Fe3  3  0.0000  0.0000  0.6482  1
  Sn  Sn4  3  0.0000  0.0000  0.0030  1
  Sn  Sn5  3  0.0000  0.0000  0.4992  1
  P  P6  9  0.0416  0.3748  0.9156  1
  P  P7  9  0.0462  0.6681  0.4174  1
  O  O8  9  0.0014  0.8045  0.6913  1
  O  O9  9  0.0054  0.1984  0.1906  1
  O  O10  9  0.0193  0.1839  0.9172  1
  O  O11  9  0.0218  0.8370  0.4199  1
  O  O12  9  0.1393  0.4654  0.9749  1
  O  O13  9  0.1439  0.6744  0.4759  1
  O  O14  9  0.1686  0.6896  0.7489  1
  O  O15  9  0.1690  0.4830  0.2468  1
]