data_[Li10Sn4Sb10]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3236]
_cell_length_b [4.7332]
_cell_length_c [11.4514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Sn2Sb5]
_chemical_formula_sum '[Li10 Sn4 Sb10]'
_cell_volume [631.3981]
_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  4  0.1401  0.5000  0.9984  1.0
  Li  Li1  4  0.1960  0.5000  0.3796  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  4  0.1131  0.0000  0.8000  1.0
  Sb  Sb4  4  0.0796  0.0000  0.4240  1.0
  Sb  Sb5  4  0.2423  0.0000  0.2097  1.0
  Sb  Sb6  2  0.0000  0.0000  0.0000  1.0
]