data_[Mn3Fe9Co6P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6204]
_cell_length_b [8.6204]
_cell_length_c [20.3671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnFe3Co2(PO4)6]
_chemical_formula_sum '[Mn3 Fe9 Co6 P18 O72]'
_cell_volume [1310.7382]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.8588  1
  Fe  Fe1  3  0.0000  0.0000  0.1439  1
  Fe  Fe2  3  0.0000  0.0000  0.3547  1
  Fe  Fe3  3  0.0000  0.0000  0.6443  1
  Co  Co4  3  0.0000  0.0000  0.0018  1
  Co  Co5  3  0.0000  0.0000  0.4995  1
  P  P6  9  0.0368  0.3689  0.9149  1
  P  P7  9  0.0429  0.6691  0.4178  1
  O  O8  9  0.0018  0.2012  0.3108  1
  O  O9  9  0.0030  0.8113  0.8133  1
  O  O10  9  0.0142  0.1753  0.9243  1
  O  O11  9  0.0170  0.8351  0.4281  1
  O  O12  9  0.1401  0.4628  0.8535  1
  O  O13  9  0.1460  0.6814  0.3559  1
  O  O14  9  0.1636  0.4885  0.2394  1
  O  O15  9  0.1655  0.6842  0.7410  1
]