data_LiScCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   144.78
_cell_angle_beta   144.78
_cell_angle_gamma   50.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCo
_chemical_formula_sum   'Li1 Sc1 Co1'
_cell_volume   46.29
_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  0.0  0.0  0.04  1.0
  Sc  Sc2  1  0.0  0.0  0.34  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_LiScCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   115.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiScCo
_chemical_formula_sum   'Li2 Sc2 Co2'
_cell_volume   92.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.96  1.0
  Sc  Sc1  2  0.0  0.0  0.66  1.0
  Co  Co2  2  0.0  0.0  1.0  1.0

Li Sc Co
Li Sc Co 0 2 o o o 0 1 o o o 1 2 o o o 