data_LiScV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   93.49
_cell_angle_beta   93.49
_cell_angle_gamma   34.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScV2
_chemical_formula_sum   'Li1 Sc1 V2'
_cell_volume   65.94
_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  0.23  0.0  0.83  1.0
  Sc  Sc1  1  0.49  0.0  0.35  1.0
  V  V2  1  0.41  0.0  0.26  1.0
  V  V3  1  0.94  0.0  0.38  1.0

data_LiScV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   93.49
_cell_angle_beta   90.0
_cell_angle_gamma   107.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScV2
_chemical_formula_sum   'Li1 Sc1 V2'
_cell_volume   65.94
_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  0.77  0.17  1.0
  Sc  Sc1  1  0.0  0.51  0.65  1.0
  V  V2  1  0.0  0.06  0.62  1.0
  V  V3  1  0.0  0.59  0.74  1.0

Li Sc V V
Li Sc V V 0 3 - o o 0 0 + - o 0 1 o o o 0 1 o o + 0 2 o o + 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 3 3 + - o 