data_[Li4Mo4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1043]
_cell_length_b [11.2592]
_cell_length_c [5.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.7567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMoF4]
_chemical_formula_sum '[Li4 Mo4 F16]'
_cell_volume [301.7684]
_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  0.0000  0.0641  0.2500  1.0
  Mo  Mo1  4  0.0000  0.3376  0.7500  1.0
  F  F2  8  0.1861  0.1984  0.7046  1.0
  F  F3  8  0.2449  0.5477  0.2846  1.0
]