data_[K8Sc8Mo4P8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.5215]
_cell_length_b [10.5468]
_cell_length_c [10.5593]
_cell_angle_alpha [89.6034]
_cell_angle_beta [89.4482]
_cell_angle_gamma [89.8164]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2Sc2Mo(PO6)2]
_chemical_formula_sum '[K8 Sc8 Mo4 P8 O48]'
_cell_volume [1171.6514]
_cell_formula_units_Z [4]
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  1  0.0613  0.4112  0.5559  1
  K  K1  1  0.2213  0.7917  0.3051  1
  K  K2  1  0.3057  0.1997  0.7955  1
  K  K3  1  0.4446  0.5539  0.0881  1
  K  K4  1  0.5627  0.0836  0.4285  1
  K  K5  1  0.6976  0.6977  0.6989  1
  K  K6  1  0.7943  0.3106  0.1944  1
  K  K7  1  0.9067  0.9435  0.9241  1
  Sc  Sc8  1  0.0662  0.5684  0.9341  1
  Sc  Sc9  1  0.1549  0.1661  0.1462  1
  Sc  Sc10  1  0.3762  0.8759  0.6231  1
  Sc  Sc11  1  0.4156  0.4078  0.3991  1
  Sc  Sc12  1  0.5857  0.9103  0.0832  1
  Sc  Sc13  1  0.6566  0.3490  0.8624  1
  Sc  Sc14  1  0.8470  0.6235  0.3478  1
  Sc  Sc15  1  0.9110  0.1064  0.6003  1
  Mo  Mo16  1  0.0439  0.7719  0.6270  1
  Mo  Mo17  1  0.2675  0.8722  0.9526  1
  Mo  Mo18  1  0.3717  0.5451  0.7274  1
  Mo  Mo19  1  0.8773  0.9569  0.2779  1
  P  P20  1  0.1259  0.4613  0.2364  1
  P  P21  1  0.2266  0.1322  0.4561  1
  P  P22  1  0.4659  0.2254  0.1206  1
  P  P23  1  0.5434  0.7279  0.3659  1
  P  P24  1  0.6293  0.0432  0.7732  1
  P  P25  1  0.7216  0.3741  0.5417  1
  P  P26  1  0.7637  0.6231  0.0394  1
  P  P27  1  0.9634  0.2680  0.8822  1
  O  O28  1  0.0017  0.4072  0.8586  1
  O  O29  1  0.0210  0.6818  0.7679  1
  O  O30  1  0.0243  0.5406  0.3075  1
  O  O31  1  0.0516  0.2033  0.9794  1
  O  O32  1  0.0812  0.3212  0.2367  1
  O  O33  1  0.0905  0.1499  0.5113  1
  O  O34  1  0.1432  0.5071  0.0977  1
  O  O35  1  0.1732  0.7349  0.9751  1
  O  O36  1  0.1993  0.9866  0.0560  1
  O  O37  1  0.2066  0.7650  0.5710  1
  O  O38  1  0.2236  0.0898  0.3159  1
  O  O39  1  0.2290  0.5245  0.8166  1
  O  O40  1  0.2550  0.4770  0.3031  1
  O  O41  1  0.2636  0.9294  0.7914  1
  O  O42  1  0.2998  0.0270  0.5315  1
  O  O43  1  0.3031  0.2565  0.4721  1
  O  O44  1  0.3258  0.2333  0.0736  1
  O  O45  1  0.3425  0.4933  0.5701  1
  O  O46  1  0.4241  0.8310  0.0016  1
  O  O47  1  0.4273  0.7069  0.7329  1
  O  O48  1  0.4686  0.7994  0.4726  1
  O  O49  1  0.4789  0.2975  0.2485  1
  O  O50  1  0.4829  0.4440  0.8046  1
  O  O51  1  0.4911  0.5919  0.3499  1
  O  O52  1  0.5040  0.0849  0.1384  1
  O  O53  1  0.5216  0.8048  0.2423  1
  O  O54  1  0.5281  0.9690  0.6959  1
  O  O55  1  0.5540  0.2958  0.0253  1
  O  O56  1  0.5858  0.3533  0.4913  1
  O  O57  1  0.5866  0.1835  0.7789  1
  O  O58  1  0.6424  0.9847  0.9074  1
  O  O59  1  0.6859  0.7270  0.4031  1
  O  O60  1  0.6939  0.7517  0.0292  1
  O  O61  1  0.6973  0.5256  0.9532  1
  O  O62  1  0.7209  0.4187  0.6814  1
  O  O63  1  0.7355  0.9820  0.1890  1
  O  O64  1  0.7591  0.0281  0.7044  1
  O  O65  1  0.7639  0.5717  0.1784  1
  O  O66  1  0.7929  0.4736  0.4576  1
  O  O67  1  0.7999  0.2491  0.5279  1
  O  O68  1  0.8230  0.2632  0.9292  1
  O  O69  1  0.8480  0.0036  0.4379  1
  O  O70  1  0.9028  0.6451  0.9963  1
  O  O71  1  0.9349  0.7971  0.2677  1
  O  O72  1  0.9410  0.7005  0.5149  1
  O  O73  1  0.9796  0.1973  0.7548  1
  O  O74  1  0.9875  0.0599  0.2017  1
  O  O75  1  0.9958  0.9302  0.6613  1
]