data_LiScCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.19
_cell_angle_alpha   112.78
_cell_angle_beta   112.78
_cell_angle_gamma   43.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCo2
_chemical_formula_sum   'Li1 Sc1 Co2'
_cell_volume   54.54
_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  0.0  1.0
  Sc  Sc3  1  0.36  0.0  0.9  1.0
  Co  Co0  1  0.94  0.0  0.82  1.0
  Co  Co1  1  0.78  0.0  0.99  1.0

data_LiScCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.19
_cell_length_c   4.56
_cell_angle_alpha   112.78
_cell_angle_beta   111.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScCo2
_chemical_formula_sum   'Li1 Sc1 Co2'
_cell_volume   54.54
_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
  Sc  Sc1  1  0.0  0.9  0.36  1.0
  Co  Co2  1  0.0  0.82  0.94  1.0
  Co  Co3  1  0.0  0.99  0.78  1.0

Li Sc Co Co
Li Sc Co Co 0 2 - o - 0 1 o o - 0 3 - o - 1 2 - o o 1 3 o o o 