data_[Li2Mg28Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4341]
_cell_length_b [6.3319]
_cell_length_c [11.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMg14Sb]
_chemical_formula_sum '[Li2 Mg28 Sb2]'
_cell_volume [730.3682]
_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  2  0.5000  0.0000  0.1668  1
  Mg  Mg1  8  0.2494  0.2489  0.0831  1
  Mg  Mg2  4  0.0000  0.2492  0.9168  1
  Mg  Mg3  4  0.2492  0.0000  0.3334  1
  Mg  Mg4  4  0.2494  0.0000  0.8342  1
  Mg  Mg5  4  0.5000  0.2490  0.4163  1
  Mg  Mg6  2  0.0000  0.0000  0.1663  1
  Mg  Mg7  2  0.0000  0.0000  0.6667  1
  Sb  Sb8  2  0.5000  0.0000  0.6664  1
]