data_Sc5V4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   93.04
_cell_angle_beta   93.04
_cell_angle_gamma   153.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5V4
_chemical_formula_sum   'Sc5 V4'
_cell_volume   172.19
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.35  0.35  0.0  1.0
  Sc  Sc2  1  0.3  0.7  0.69  1.0
  Sc  Sc3  1  0.7  0.3  0.69  1.0
  Sc  Sc4  1  0.7  0.7  0.69  1.0
  V  V5  1  0.0  0.69  0.0  1.0
  V  V6  1  0.0  0.41  0.0  1.0
  V  V7  1  0.69  0.0  0.0  1.0
  V  V8  1  0.41  0.0  0.0  1.0

data_Sc5V4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.38
_cell_length_b   14.28
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc5V4
_chemical_formula_sum   'Sc10 V8'
_cell_volume   344.37
_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
  Sc  Sc0  4  0.19  0.2  0.69  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Sc  Sc2  2  0.15  0.5  0.0  1.0
  Sc  Sc3  2  0.49  0.5  0.69  1.0
  V  V4  4  0.16  0.16  0.0  1.0
  V  V5  4  0.3  0.3  0.0  1.0

Sc Sc Sc Sc Sc V V V V