data_LiTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   145.55
_cell_angle_beta   128.67
_cell_angle_gamma   63.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Os
_chemical_formula_sum   'Li1 Tc2 Os1'
_cell_volume   55.21
_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  0.27  1.0
  Tc  Tc2  1  0.0  0.0  0.53  1.0
  Tc  Tc3  1  0.0  0.17  0.17  1.0
  Os  Os1  1  0.49  0.0  0.12  1.0

data_LiTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.35
_cell_length_c   5.02
_cell_angle_alpha   115.67
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Os
_chemical_formula_sum   'Li1 Tc2 Os1'
_cell_volume   55.21
_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  0.73  0.73  0.73  1.0
  Tc  Tc1  1  0.47  0.47  0.47  1.0
  Tc  Tc2  1  0.83  0.0  0.0  1.0
  Os  Os3  1  0.37  0.88  0.37  1.0

Li Tc Tc Os