data_[Li4Sn2Mo6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.7835]
_cell_length_b [5.7835]
_cell_length_c [10.4895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li2SnMo3O8]
_chemical_formula_sum '[Li4 Sn2 Mo6 O16]'
_cell_volume [303.8561]
_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  0.0000  0.0000  0.0838  1
  Li  Li1  2  0.3333  0.6667  0.9933  1
  Sn  Sn2  2  0.3333  0.6667  0.5949  1
  Mo  Mo3  6  0.1888  0.3777  0.3107  1
  O  O4  6  0.0295  0.5147  0.4450  1
  O  O5  6  0.1585  0.3171  0.6986  1
  O  O6  2  0.0000  0.0000  0.4038  1
  O  O7  2  0.3333  0.6667  0.1723  1
]