data_HfSc7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   6.58
_cell_length_c   6.09
_cell_angle_alpha   74.31
_cell_angle_beta   55.76
_cell_angle_gamma   49.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc7
_chemical_formula_sum   'Hf1 Sc7'
_cell_volume   192.15
_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
  Hf  Hf0  1  0.29  0.12  0.39  1.0
  Sc  Sc1  1  0.29  0.12  0.71  1.0
  Sc  Sc2  1  0.93  0.12  0.54  1.0
  Sc  Sc3  1  0.66  0.12  0.54  1.0
  Sc  Sc4  1  0.94  0.69  0.63  1.0
  Sc  Sc5  1  0.65  0.56  0.93  1.0
  Sc  Sc6  1  0.29  0.51  0.82  1.0
  Sc  Sc7  1  0.29  0.73  0.82  1.0

data_HfSc7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.58
_cell_angle_alpha   105.69
_cell_angle_beta   105.69
_cell_angle_gamma   114.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc7
_chemical_formula_sum   'Hf1 Sc7'
_cell_volume   192.15
_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
  Hf  Hf0  1  0.12  0.81  0.42  1.0
  Sc  Sc1  1  0.12  0.12  0.42  1.0
  Sc  Sc2  1  0.12  0.32  0.78  1.0
  Sc  Sc3  1  0.12  0.59  0.05  1.0
  Sc  Sc4  1  0.51  0.62  0.81  1.0
  Sc  Sc5  1  0.56  0.14  0.21  1.0
  Sc  Sc6  1  0.69  0.25  0.62  1.0
  Sc  Sc7  1  0.73  0.84  0.02  1.0

Hf Sc Sc Sc Sc Sc Sc Sc