data_[K8Ni8Mo12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9232]
_cell_length_b [8.7073]
_cell_length_c [19.5396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2Ni2(MoO4)3]
_chemical_formula_sum '[K8 Ni8 Mo12 O48]'
_cell_volume [1122.5865]
_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  4  0.0041  0.0033  0.2315  1
  K  K1  4  0.3002  0.5454  0.5923  1
  Ni  Ni2  4  0.2178  0.1558  0.6343  1
  Ni  Ni3  4  0.4201  0.5762  0.0584  1
  Mo  Mo4  4  0.0879  0.1687  0.4569  1
  Mo  Mo5  4  0.3071  0.7390  0.9009  1
  Mo  Mo6  4  0.4554  0.6571  0.2302  1
  O  O7  4  0.0534  0.1938  0.8903  1
  O  O8  4  0.0586  0.6697  0.8530  1
  O  O9  4  0.1177  0.2248  0.0376  1
  O  O10  4  0.1371  0.5450  0.0680  1
  O  O11  4  0.2861  0.7028  0.7414  1
  O  O12  4  0.3121  0.0546  0.4617  1
  O  O13  4  0.3140  0.1551  0.1944  1
  O  O14  4  0.3256  0.0236  0.7218  1
  O  O15  4  0.3319  0.5753  0.3711  1
  O  O16  4  0.3408  0.7395  0.4953  1
  O  O17  4  0.4834  0.1975  0.3510  1
  O  O18  4  0.4859  0.1240  0.6116  1
]