data_[Mn2Fe4P4O32]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8077]
_cell_length_b [9.5311]
_cell_length_c [10.1365]
_cell_angle_alpha [66.1373]
_cell_angle_beta [84.1103]
_cell_angle_gamma [82.5390]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnFe2(PO8)2]
_chemical_formula_sum '[Mn2 Fe4 P4 O32]'
_cell_volume [682.9555]
_cell_formula_units_Z [2]
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  2  0.3393  0.8638  0.5883  1
  Fe  Fe1  2  0.1359  0.2938  0.7231  1
  Fe  Fe2  2  0.3624  0.7728  0.2038  1
  P  P3  2  0.1153  0.6736  0.5102  1
  P  P4  2  0.3958  0.9689  0.8402  1
  O  O5  2  0.0042  0.7895  0.8848  1
  O  O6  2  0.0515  0.2535  0.5707  1
  O  O7  2  0.0786  0.6604  0.9115  1
  O  O8  2  0.0918  0.5135  0.6276  1
  O  O9  2  0.0951  0.7515  0.1526  1
  O  O10  2  0.1437  0.7775  0.5947  1
  O  O11  2  0.2063  0.6292  0.1611  1
  O  O12  2  0.2345  0.0850  0.8208  1
  O  O13  2  0.2706  0.6732  0.4035  1
  O  O14  2  0.2841  0.3409  0.8640  1
  O  O15  2  0.3120  0.0375  0.4724  1
  O  O16  2  0.3677  0.8563  0.7663  1
  O  O17  2  0.4008  0.3561  0.7552  1
  O  O18  2  0.4160  0.8613  0.9986  1
  O  O19  2  0.4406  0.9467  0.2275  1
  O  O20  2  0.4934  0.7556  0.5499  1
]