data_[Li8Ca6Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6738]
_cell_length_b [7.3931]
_cell_length_c [15.2673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Ca3Sb4]
_chemical_formula_sum '[Li8 Ca6 Sb8]'
_cell_volume [527.5514]
_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  8  0.0000  0.1934  0.1759  1.0
  Ca  Ca1  4  0.0000  0.0000  0.3711  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  4  0.0000  0.3045  0.0000  1.0
  Sb  Sb4  4  0.0000  0.5000  0.2853  1.0
]