data_[Li18Tc3Sn36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0365]
_cell_length_b [10.0365]
_cell_length_c [15.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6TcSn12]
_chemical_formula_sum '[Li18 Tc3 Sn36]'
_cell_volume [1376.0814]
_cell_formula_units_Z [3]
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  18  0.0395  0.5172  0.3374  1
  Tc  Tc1  3  0.0000  0.0000  0.0000  1
  Sn  Sn2  18  0.0203  0.1961  0.8667  1
  Sn  Sn3  18  0.0775  0.5456  0.0918  1
]