data_[Li6Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4261]
_cell_length_b [3.2251]
_cell_length_c [8.8828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiSb]
_chemical_formula_sum '[Li6 Sb6]'
_cell_volume [273.3324]
_cell_formula_units_Z [6]
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  0.0254  0.0000  0.9731  1.0
  Li  Li1  2  0.2619  0.0000  0.6685  1.0
  Li  Li2  2  0.4373  0.0000  0.2883  1.0
  Sb  Sb3  2  0.2135  0.5000  0.3109  1.0
  Sb  Sb4  2  0.2556  0.5000  0.9756  1.0
  Sb  Sb5  2  0.4730  0.5000  0.6168  1.0
]