data_LiTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.94
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2As
_chemical_formula_sum   'Li1 Tc2 As1'
_cell_volume   58.47
_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  Li1  1  0.79  0.0  0.66  1.0
  Tc  Tc2  1  0.71  0.97  0.1  1.0
  Tc  Tc3  1  0.31  0.0  0.18  1.0
  As  As0  1  0.25  0.97  0.76  1.0

data_LiTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.94
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2As
_chemical_formula_sum   'Li1 Tc2 As1'
_cell_volume   58.47
_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  0.79  0.0  0.66  1.0
  Tc  Tc1  1  0.31  0.0  0.18  1.0
  Tc  Tc2  1  0.71  0.97  0.1  1.0
  As  As3  1  0.25  0.97  0.76  1.0

Li Tc Tc As