data_[Li18Ga36Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1047]
_cell_length_b [10.1047]
_cell_length_c [10.8732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Ga12Tc]
_chemical_formula_sum '[Li18 Ga36 Tc3]'
_cell_volume [961.4645]
_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  0.0239  0.4267  0.7135  1
  Ga  Ga1  18  0.0486  0.1858  0.8270  1
  Ga  Ga2  18  0.0495  0.8623  0.4016  1
  Tc  Tc3  3  0.0000  0.0000  0.0000  1
]