data_[Ba2Li3Y3Mo8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2931]
_cell_length_b [6.9766]
_cell_length_c [19.3271]
_cell_angle_alpha [89.0527]
_cell_angle_beta [88.9021]
_cell_angle_gamma [68.0407]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2Li3Y3(MoO4)8]
_chemical_formula_sum '[Ba2 Li3 Y3 Mo8 O32]'
_cell_volume [661.7746]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0285  0.9416  0.7374  1
  Ba  Ba1  1  0.9694  0.0595  0.2657  1
  Li  Li2  1  0.3091  0.3706  0.7424  1
  Li  Li3  1  0.6941  0.6261  0.2589  1
  Li  Li4  1  0.8498  0.2926  0.4648  1
  Y  Y5  1  0.1429  0.7052  0.9678  1
  Y  Y6  1  0.1511  0.7066  0.5283  1
  Y  Y7  1  0.8569  0.2953  0.0335  1
  Mo  Mo8  1  0.2644  0.4791  0.1506  1
  Mo  Mo9  1  0.2671  0.4739  0.3507  1
  Mo  Mo10  1  0.4292  0.1179  0.5899  1
  Mo  Mo11  1  0.4524  0.1203  0.9083  1
  Mo  Mo12  1  0.5482  0.8792  0.0918  1
  Mo  Mo13  1  0.5685  0.8835  0.4084  1
  Mo  Mo14  1  0.7345  0.5245  0.6502  1
  Mo  Mo15  1  0.7361  0.5213  0.8498  1
  O  O16  1  0.0002  0.6994  0.3179  1
  O  O17  1  0.0657  0.3970  0.2096  1
  O  O18  1  0.0758  0.5192  0.0674  1
  O  O19  1  0.1065  0.2914  0.3628  1
  O  O20  1  0.1799  0.3421  0.5486  1
  O  O21  1  0.2219  0.0377  0.9636  1
  O  O22  1  0.2265  0.0889  0.1023  1
  O  O23  1  0.2699  0.9556  0.4651  1
  O  O24  1  0.2787  0.7178  0.1752  1
  O  O25  1  0.2907  0.1757  0.8276  1
  O  O26  1  0.3027  0.9096  0.6059  1
  O  O27  1  0.3910  0.7040  0.8681  1
  O  O28  1  0.4015  0.5270  0.4310  1
  O  O29  1  0.4586  0.8303  0.3253  1
  O  O30  1  0.4759  0.5983  0.7184  1
  O  O31  1  0.4896  0.3377  0.9565  1
  O  O32  1  0.5119  0.6616  0.0431  1
  O  O33  1  0.5231  0.4040  0.2813  1
  O  O34  1  0.5386  0.1673  0.6738  1
  O  O35  1  0.5859  0.4858  0.5714  1
  O  O36  1  0.6094  0.2953  0.1317  1
  O  O37  1  0.6817  0.0921  0.3937  1
  O  O38  1  0.7098  0.8240  0.1723  1
  O  O39  1  0.7203  0.2837  0.8242  1
  O  O40  1  0.7351  0.0269  0.5379  1
  O  O41  1  0.7747  0.9104  0.8972  1
  O  O42  1  0.7781  0.9616  0.0360  1
  O  O43  1  0.8337  0.6749  0.4539  1
  O  O44  1  0.9066  0.7042  0.6353  1
  O  O45  1  0.9262  0.4803  0.9328  1
  O  O46  1  0.9323  0.6029  0.7895  1
  O  O47  1  0.9952  0.2962  0.6821  1
]