data_Sc4V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4V3
_chemical_formula_sum   'Sc4 V3'
_cell_volume   135.54
_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  0.44  1.0
  Sc  Sc1  1  0.0  0.0  0.48  1.0
  Sc  Sc2  1  0.0  0.97  0.0  1.0
  Sc  Sc3  1  0.57  0.48  0.0  1.0
  V  V4  1  0.57  0.0  0.96  1.0
  V  V5  1  0.71  0.23  0.96  1.0
  V  V6  1  0.29  0.23  0.96  1.0

data_Sc4V3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4V3
_chemical_formula_sum   'Sc4 V3'
_cell_volume   135.54
_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  0.44  1.0
  Sc  Sc1  1  0.0  0.0  0.48  1.0
  Sc  Sc2  1  0.0  0.97  0.0  1.0
  Sc  Sc3  1  0.57  0.48  0.0  1.0
  V  V4  1  0.29  0.23  0.96  1.0
  V  V5  1  0.57  0.0  0.96  1.0
  V  V6  1  0.71  0.23  0.96  1.0

Sc Sc Sc Sc V V V