data_[Mn9Fe6Co3P18O72]
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 [8.5350]
_cell_length_b [8.5350]
_cell_length_c [20.5714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Mn3Fe2Co(PO4)6]
_chemical_formula_sum '[Mn9 Fe6 Co3 P18 O72]'
_cell_volume [1297.7907]
_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  0.3580  1
  Mn  Mn1  3  0.0000  0.0000  0.6413  1
  Mn  Mn2  3  0.0000  0.0000  0.8588  1
  Fe  Fe3  3  0.0000  0.0000  0.0010  1
  Fe  Fe4  3  0.0000  0.0000  0.4993  1
  Co  Co5  3  0.0000  0.0000  0.1404  1
  P  P6  9  0.0021  0.2917  0.7501  1
  P  P7  9  0.0444  0.6678  0.9162  1
  O  O8  9  0.0004  0.1954  0.8127  1
  O  O9  9  0.0167  0.8356  0.9247  1
  O  O10  9  0.0222  0.1855  0.4234  1
  O  O11  9  0.1377  0.6673  0.8534  1
  O  O12  9  0.1382  0.6686  0.9795  1
  O  O13  9  0.1415  0.4709  0.3541  1
  O  O14  9  0.1696  0.6853  0.2433  1
  O  O15  9  0.1728  0.4851  0.7431  1
]