data_[Li1Y5Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.9267]
_cell_length_b [7.0597]
_cell_length_c [7.3845]
_cell_angle_alpha [105.5122]
_cell_angle_beta [90.3114]
_cell_angle_gamma [114.7729]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiY5(MoO6)2]
_chemical_formula_sum '[Li1 Y5 Mo2 O12]'
_cell_volume [267.8708]
_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
[
  Li  Li0  1  0.3542  0.7156  0.6976  1.0
  Y  Y1  1  0.1822  0.3681  0.8350  1.0
  Y  Y2  1  0.1886  0.3869  0.3508  1.0
  Y  Y3  1  0.5033  0.0176  0.4958  1.0
  Y  Y4  1  0.7922  0.5902  0.6397  1.0
  Y  Y5  1  0.8014  0.6113  0.1744  1.0
  Mo  Mo6  1  0.2594  0.9996  0.0018  1.0
  Mo  Mo7  1  0.7461  0.9998  0.9999  1.0
  O  O8  1  0.0011  0.9980  0.8116  1.0
  O  O9  1  0.0917  0.6690  0.8910  1.0
  O  O10  1  0.1051  0.6906  0.4447  1.0
  O  O11  1  0.3948  0.2976  0.5678  1.0
  O  O12  1  0.4035  0.3299  0.0867  1.0
  O  O13  1  0.4980  0.9915  0.1897  1.0
  O  O14  1  0.5156  0.0131  0.8027  1.0
  O  O15  1  0.5787  0.6557  0.8956  1.0
  O  O16  1  0.5847  0.6829  0.4360  1.0
  O  O17  1  0.8999  0.3006  0.5698  1.0
  O  O18  1  0.9343  0.3455  0.0886  1.0
  O  O19  1  0.9904  0.9848  0.1905  1.0
]