data_LiCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   4.09
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Tc
_chemical_formula_sum   'Li1 Cr2 Tc1'
_cell_volume   49.59
_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  0.88  0.0  0.43  1.0
  Cr  Cr0  1  0.48  0.0  0.03  1.0
  Cr  Cr1  1  0.67  0.04  0.21  1.0
  Tc  Tc3  1  0.99  0.04  0.65  1.0

data_LiCr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.09
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Tc
_chemical_formula_sum   'Li1 Cr2 Tc1'
_cell_volume   49.59
_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  0.88  0.0  0.43  1.0
  Cr  Cr1  1  0.48  0.0  0.03  1.0
  Cr  Cr2  1  0.67  0.04  0.21  1.0
  Tc  Tc3  1  0.99  0.04  0.65  1.0

Li Cr Cr Tc
Li Cr Cr Tc 0 2 o o o 0 3 o o o 1 2 o o o 