data_[Li4Si8Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1727]
_cell_length_b [5.0261]
_cell_length_c [9.2023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiSi2Mo]
_chemical_formula_sum '[Li4 Si8 Mo4]'
_cell_volume [232.5970]
_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
[
  Li  Li0  4  0.1241  0.4133  0.1370  1
  Si  Si1  4  0.1911  0.0859  0.5935  1
  Si  Si2  4  0.3850  0.3493  0.4062  1
  Mo  Mo3  4  0.2855  0.1537  0.8728  1
]