data_[Li2Sc4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9891]
_cell_length_b [3.2299]
_cell_length_c [5.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSc2Sb]
_chemical_formula_sum '[Li2 Sc4 Sb2]'
_cell_volume [182.5661]
_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  0.0000  0.0000  0.5000  1
  Sc  Sc1  4  0.2410  0.0000  0.2414  1
  Sb  Sb2  2  0.0000  0.5000  0.0000  1
]