data_LiScV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   147.33
_cell_angle_beta   134.65
_cell_angle_gamma   57.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScV2
_chemical_formula_sum   'Li1 Sc1 V2'
_cell_volume   62.17
_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  0.0  0.8  1.0
  V  V2  1  0.0  0.11  0.55  1.0
  V  V3  1  0.54  0.0  0.25  1.0

data_LiScV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.21
_cell_length_c   5.46
_cell_angle_alpha   112.67
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScV2
_chemical_formula_sum   'Li1 Sc1 V2'
_cell_volume   62.17
_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  0.8  0.8  1.0
  V  V2  1  0.0  0.25  0.72  1.0
  V  V3  1  0.89  0.44  0.44  1.0

Li Sc V V