data_LiTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAs2
_chemical_formula_sum   'Li1 Tc1 As2'
_cell_volume   71.17
_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  0.7  1.0
  Tc  Tc3  1  0.7  0.0  0.41  1.0
  As  As0  1  0.0  0.0  0.55  1.0
  As  As1  1  0.7  0.0  0.78  1.0

data_LiTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcAs2
_chemical_formula_sum   'Li1 Tc1 As2'
_cell_volume   71.17
_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  0.0  0.7  1.0
  Tc  Tc1  1  0.7  0.0  0.41  1.0
  As  As2  1  0.0  0.0  0.55  1.0
  As  As3  1  0.7  0.0  0.78  1.0

Li Tc As As