data_[K8Hf6Mn2P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [10.3026]
_cell_length_b [10.2829]
_cell_length_c [10.3031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [K4Hf3Mn(PO4)6]
_chemical_formula_sum '[K8 Hf6 Mn2 P12 O48]'
_cell_volume [1091.5221]
_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
[
  K  K0  2  0.0423  0.2004  0.1894  1
  K  K1  2  0.1775  0.9316  0.5711  1
  K  K2  2  0.3079  0.5625  0.0601  1
  K  K3  2  0.4429  0.2992  0.7109  1
  Hf  Hf4  2  0.1608  0.5874  0.4134  1
  Hf  Hf5  2  0.3324  0.9157  0.9146  1
  Hf  Hf6  2  0.3931  0.1431  0.3547  1
  Mn  Mn7  2  0.1017  0.3524  0.8544  1
  P  P8  2  0.0175  0.0388  0.8763  1
  P  P9  2  0.1278  0.2689  0.5393  1
  P  P10  2  0.2105  0.8763  0.2322  1
  P  P11  2  0.2877  0.6270  0.7288  1
  P  P12  2  0.3787  0.2302  0.0379  1
  P  P13  2  0.4791  0.4615  0.3734  1
  O  O14  2  0.0031  0.6945  0.4797  1
  O  O15  2  0.0116  0.1783  0.9253  1
  O  O16  2  0.0506  0.4431  0.0345  1
  O  O17  2  0.0517  0.5273  0.2602  1
  O  O18  2  0.0740  0.9297  0.2417  1
  O  O19  2  0.1053  0.4110  0.4926  1
  O  O20  2  0.1622  0.9949  0.8520  1
  O  O21  2  0.1804  0.2602  0.6761  1
  O  O22  2  0.2056  0.5282  0.7988  1
  O  O23  2  0.2251  0.2019  0.4432  1
  O  O24  2  0.2286  0.7458  0.3075  1
  O  O25  2  0.2449  0.6498  0.5855  1
  O  O26  2  0.2571  0.8538  0.0901  1
  O  O27  2  0.2756  0.7600  0.8006  1
  O  O28  2  0.2817  0.2996  0.9534  1
  O  O29  2  0.3083  0.9727  0.2983  1
  O  O30  2  0.3357  0.2293  0.1837  1
  O  O31  2  0.3378  0.5068  0.3527  1
  O  O32  2  0.4012  0.0862  0.9954  1
  O  O33  2  0.4336  0.5852  0.7275  1
  O  O34  2  0.4437  0.9791  0.7540  1
  O  O35  2  0.4523  0.0473  0.5235  1
  O  O36  2  0.4808  0.3178  0.4191  1
  O  O37  2  0.4889  0.8025  0.9727  1
]