data_LiTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc4
_chemical_formula_sum   'Li4 Tc16'
_cell_volume   306.1
_cell_formula_units_Z   4
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  1  0.79  0.21  0.21  1.0
  Li  Li1  1  0.21  0.79  0.21  1.0
  Li  Li2  1  0.21  0.21  0.79  1.0
  Li  Li3  1  0.03  0.03  0.03  1.0
  Tc  Tc4  1  0.35  0.65  0.65  1.0
  Tc  Tc5  1  0.65  0.35  0.65  1.0
  Tc  Tc6  1  0.65  0.65  0.35  1.0
  Tc  Tc7  1  0.6  0.6  0.6  1.0
  Tc  Tc8  1  0.84  0.0  0.0  1.0
  Tc  Tc9  1  0.65  0.0  0.0  1.0
  Tc  Tc10  1  0.0  0.65  0.0  1.0
  Tc  Tc11  1  0.0  0.84  0.0  1.0
  Tc  Tc12  1  0.0  0.0  0.65  1.0
  Tc  Tc13  1  0.0  0.0  0.84  1.0
  Tc  Tc14  1  0.12  0.25  0.0  1.0
  Tc  Tc15  1  0.12  0.0  0.25  1.0
  Tc  Tc16  1  0.25  0.12  0.0  1.0
  Tc  Tc17  1  0.0  0.12  0.25  1.0
  Tc  Tc18  1  0.0  0.25  0.12  1.0
  Tc  Tc19  1  0.25  0.0  0.12  1.0

data_LiTc4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.01
_cell_length_b   12.01
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiTc4
_chemical_formula_sum   'Li12 Tc48'
_cell_volume   918.31
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.05  0.53  0.74  1.0
  Li  Li1  3  0.0  0.0  0.03  1.0
  Tc  Tc2  18  0.0  0.12  0.12  1.0
  Tc  Tc3  9  0.05  0.1  0.95  1.0
  Tc  Tc4  9  0.1  0.19  0.55  1.0
  Tc  Tc5  9  0.1  0.55  0.55  1.0
  Tc  Tc6  3  0.0  0.0  0.6  1.0

Li Li Li Li Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc