data_LiTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.04
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Os
_chemical_formula_sum   'Li1 Tc2 Os1'
_cell_volume   55.03
_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  0.0  1.0
  Tc  Tc2  1  0.86  0.02  0.86  1.0
  Tc  Tc3  1  0.09  0.02  0.21  1.0
  Os  Os1  1  0.63  0.0  0.54  1.0

data_LiTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.04
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Os
_chemical_formula_sum   'Li1 Tc2 Os1'
_cell_volume   55.03
_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  0.0  1.0
  Tc  Tc1  1  0.09  0.02  0.21  1.0
  Tc  Tc2  1  0.86  0.02  0.86  1.0
  Os  Os3  1  0.63  0.0  0.54  1.0

Li Tc Tc Os