data_Sc2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   139.19
_cell_angle_beta   133.86
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VSb
_chemical_formula_sum   'Sc2 V1 Sb1'
_cell_volume   82.4
_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
  Sc  Sc1  1  0.0  0.0  0.56  1.0
  Sc  Sc2  1  0.96  0.0  0.46  1.0
  V  V3  1  0.0  0.0  0.79  1.0
  Sb  Sb0  1  0.0  0.2  0.32  1.0

data_Sc2VSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.4
_cell_length_c   5.62
_cell_angle_alpha   113.07
_cell_angle_beta   110.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VSb
_chemical_formula_sum   'Sc2 V1 Sb1'
_cell_volume   82.4
_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
  Sc  Sc0  1  0.0  0.46  0.5  1.0
  Sc  Sc1  1  0.0  0.56  0.56  1.0
  V  V2  1  0.0  0.79  0.79  1.0
  Sb  Sb3  1  0.8  0.12  0.12  1.0

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