data_Sr2ScV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   133.03
_cell_angle_beta   133.03
_cell_angle_gamma   68.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScV
_chemical_formula_sum   'Sr2 Sc1 V1'
_cell_volume   120.85
_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
  Sr  Sr1  1  0.44  0.0  0.53  1.0
  Sr  Sr2  1  0.0  0.44  0.53  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.06  1.0

data_Sr2ScV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   124.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScV
_chemical_formula_sum   'Sr4 Sc2 V2'
_cell_volume   241.7
_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
  Sr  Sr0  4  0.28  0.28  0.09  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.0  0.0  0.06  1.0

Sr Sr Sc V