data_[Li8Mo2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1237]
_cell_length_b [5.1712]
_cell_length_c [7.8013]
_cell_angle_alpha [108.4184]
_cell_angle_beta [101.7873]
_cell_angle_gamma [101.4107]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4MoO5]
_chemical_formula_sum '[Li8 Mo2 O10]'
_cell_volume [184.1566]
_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
[
  Li  Li0  2  0.2178  0.4028  0.9026  1.0
  Li  Li1  2  0.3064  0.6141  0.6102  1.0
  Li  Li2  2  0.4226  0.8059  0.2980  1.0
  Li  Li3  1  0.0000  0.0000  0.5000  1.0
  Li  Li4  1  0.5000  0.0000  0.0000  1.0
  Mo  Mo5  2  0.1072  0.2207  0.2175  1.0
  O  O6  2  0.0503  0.5686  0.3358  1.0
  O  O7  2  0.1328  0.8236  0.0421  1.0
  O  O8  2  0.2231  0.9897  0.7509  1.0
  O  O9  2  0.3331  0.1878  0.4276  1.0
  O  O10  2  0.4263  0.3916  0.1549  1.0
]