# generated using pymatgen
data_Sc3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33422186
_cell_length_b   6.33422186
_cell_length_c   4.92337600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3V
_chemical_formula_sum   'Sc6 V2'
_cell_volume   171.07249270
_cell_formula_units_Z   2
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  0.17125000  0.34250100  0.25000000  1.0
  Sc  Sc1  1  0.65749900  0.82875000  0.25000000  1.0
  Sc  Sc2  1  0.17125000  0.82875000  0.25000000  1.0
  Sc  Sc3  1  0.82875000  0.65749900  0.75000000  1.0
  Sc  Sc4  1  0.34250100  0.17125000  0.75000000  1.0
  Sc  Sc5  1  0.82875000  0.17125000  0.75000000  1.0
  V  V6  1  0.33333300  0.66666700  0.75000000  1.0
  V  V7  1  0.66666700  0.33333300  0.25000000  1.0