data_LiCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   150.7
_cell_angle_beta   131.09
_cell_angle_gamma   58.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Tc
_chemical_formula_sum   'Li1 Co2 Tc1'
_cell_volume   48.7
_cell_formula_units_Z   1
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  Li2  1  0.0  0.0  0.39  1.0
  Co  Co0  1  0.0  0.0  0.04  1.0
  Co  Co1  1  0.29  0.0  0.02  1.0
  Tc  Tc3  1  0.0  0.11  0.48  1.0

data_LiCo2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.23
_cell_length_c   5.1
_cell_angle_alpha   114.45
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Tc
_chemical_formula_sum   'Li1 Co2 Tc1'
_cell_volume   48.7
_cell_formula_units_Z   1
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  0.0  0.39  0.39  1.0
  Co  Co1  1  0.0  0.02  0.73  1.0
  Co  Co2  1  0.0  0.04  0.04  1.0
  Tc  Tc3  1  0.89  0.37  0.37  1.0

Li Co Co Tc